7L5

2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide

Created: 2014-08-12
Last modified:  2014-12-03

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count62
Aromatic Bond Count11
2D diagram of 7L5
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Chemical Component Summary

Name2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)N-[bis(fluoranyl)methyl]-2,6-bis(chloranyl)-4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
FormulaC21 H28 Cl2 F2 N4 O2 S
Molecular Weight509.44
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Clc1cc(cc(Cl)c1S(=O)(=O)N(c2c(n(nc2C)C)C)C(F)F)CCCC3CCNCC3
SMILESCACTVS3.385Cn1nc(C)c(N(C(F)F)[S](=O)(=O)c2c(Cl)cc(CCCC3CCNCC3)cc2Cl)c1C
SMILESOpenEye OEToolkits1.7.6Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl
Canonical SMILESCACTVS3.385 Cn1nc(C)c(N(C(F)F)[S](=O)(=O)c2c(Cl)cc(CCCC3CCNCC3)cc2Cl)c1C
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl
InChIInChI1.03 InChI=1S/C21H28Cl2F2N4O2S/c1-13-19(14(2)28(3)27-13)29(21(24)25)32(30,31)20-17(22)11-16(12-18(20)23)6-4-5-15-7-9-26-10-8-15/h11-12,15,21,26H,4-10H2,1-3H3
InChIKeyInChI1.03 WZELAXINRXHZED-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3358117
PubChem 58561174
ChEMBL CHEMBL3358117