A1H4I

N-(1H-indol-7-yl)methanesulfonamide

Created:2024-02-14
Last modified:  2024-03-20

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count10
2D diagram of A1H4I

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Chemical Component Summary

NameN-(1H-indol-7-yl)methanesulfonamide
Systematic Name (OpenEye OEToolkits)~{N}-(1~{H}-indol-7-yl)methanesulfonamide
FormulaC9 H10 N2 O2 S
Molecular Weight210.253
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[S](=O)(=O)Nc1cccc2cc[nH]c12
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)Nc1cccc2c1[nH]cc2
Canonical SMILESCACTVS3.385 C[S](=O)(=O)Nc1cccc2cc[nH]c12
Canonical SMILESOpenEye OEToolkits2.0.7 CS(=O)(=O)Nc1cccc2c1[nH]cc2
InChIInChI1.06 InChI=1S/C9H10N2O2S/c1-14(12,13)11-8-4-2-3-7-5-6-10-9(7)8/h2-6,10-11H,1H3
InChIKeyInChI1.06 MEWQFKSUHJZGCA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3605925
PubChem 20231824
ChEMBL CHEMBL3605925