6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide

C23H20ClN3O5S — CID 141488775

IUPAC6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)cc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C23H20ClN3O5S/c1-31-16-6-8-18(9-7-16)33(29,30)27-23(28)22-13-19-20(10-14(24)11-21(19)26-22)25-15-4-3-5-17(12-15)32-2/h3-13,25-26H,1-2H3,(H,27,28)
InChIKeyNSOXWMKLYCMRNM-UHFFFAOYSA-N
MW485.95 g/mol
LogP4.70
Rot. Bonds7

About 6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide

6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide (PubChem CID 141488775) has the molecular formula C23H20ClN3O5S and a molecular weight of 485.95 g/mol. Its IUPAC name is 6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide
PubChem CID141488775
Molecular FormulaC23H20ClN3O5S
Molecular Weight485.95 g/mol
Exact Mass485.08
IUPAC Name6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)cc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C23H20ClN3O5S/c1-31-16-6-8-18(9-7-16)33(29,30)27-23(28)22-13-19-20(10-14(24)11-21(19)26-22)25-15-4-3-5-17(12-15)32-2/h3-13,25-26H,1-2H3,(H,27,28)
InChIKeyNSOXWMKLYCMRNM-UHFFFAOYSA-N
XLogP4.70
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxyanilino)-7-nitro-N-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indole-2-carboxamide
CID 141488696
7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
CID 141488516
N-(4-methoxyphenyl)sulfonyl-4-[3-methoxy-5-(trifluoromethyl)anilino]-7-nitro-1H-indole-2-carboxamide
CID 141488537
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide
CID 38487232
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
4-(4-cyanoanilino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
CID 141488770
4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
CID 148704936
7-chloro-N-(3-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
CID 141488721
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
3-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 43053559
7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide
CID 162658371

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide (CID 141488775) is 6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)cc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide?
The InChIKey is NSOXWMKLYCMRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5S/c1-31-16-6-8-18(9-7-16)33(29,30)27-23(28)22-13-19-20(10-14(24)11-21(19)26-22)25-15-4-3-5-17(12-15)32-2/h3-13,25-26H,1-2H3,(H,27,28).
What are the key properties of 6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide?
6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide has a molecular weight of 485.95 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 141488775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).