N5R

8-(4-chloroanilino)naphthalene-1-sulfonic acid

Created: 2022-03-24
Last modified:  2023-04-12

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count17
2D diagram of N5R

Chemical Component Summary

Name8-(4-chloroanilino)naphthalene-1-sulfonic acid
Systematic Name (OpenEye OEToolkits)8-[(4-chlorophenyl)amino]naphthalene-1-sulfonic acid
FormulaC16 H12 Cl N O3 S
Molecular Weight333.789
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Clc1ccc(Nc2cccc3cccc(c23)S(=O)(=O)O)cc1
SMILESCACTVS3.385O[S](=O)(=O)c1cccc2cccc(Nc3ccc(Cl)cc3)c12
SMILESOpenEye OEToolkits2.0.7c1cc2cccc(c2c(c1)Nc3ccc(cc3)Cl)S(=O)(=O)O
Canonical SMILESCACTVS3.385 O[S](=O)(=O)c1cccc2cccc(Nc3ccc(Cl)cc3)c12
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc2cccc(c2c(c1)Nc3ccc(cc3)Cl)S(=O)(=O)O
InChIInChI1.03 InChI=1S/C16H12ClNO3S/c17-12-7-9-13(10-8-12)18-14-5-1-3-11-4-2-6-15(16(11)14)22(19,20)21/h1-10,18H,(H,19,20,21)
InChIKeyInChI1.03 OAMDGZUFHLTUKV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 167713152