7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide

C27H28ClN3O4S — CID 141488863

IUPAC7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccc(CC(C)C)c2)n3C)c1
InChIInChI=1S/C27H28ClN3O4S/c1-17(2)13-18-7-5-10-21(14-18)36(33,34)30-27(32)25-16-22-24(12-11-23(28)26(22)31(25)3)29-19-8-6-9-20(15-19)35-4/h5-12,14-17,29H,13H2,1-4H3,(H,30,32)
InChIKeyZUZDASRRNPYIQH-UHFFFAOYSA-N
MW526.06 g/mol
LogP5.90
Rot. Bonds8

About 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide

7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide (PubChem CID 141488863) has the molecular formula C27H28ClN3O4S and a molecular weight of 526.06 g/mol. Its IUPAC name is 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide
PubChem CID141488863
Molecular FormulaC27H28ClN3O4S
Molecular Weight526.06 g/mol
Exact Mass525.15
IUPAC Name7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccc(CC(C)C)c2)n3C)c1
InChIInChI=1S/C27H28ClN3O4S/c1-17(2)13-18-7-5-10-21(14-18)36(33,34)30-27(32)25-16-22-24(12-11-23(28)26(22)31(25)3)29-19-8-6-9-20(15-19)35-4/h5-12,14-17,29H,13H2,1-4H3,(H,30,32)
InChIKeyZUZDASRRNPYIQH-UHFFFAOYSA-N
XLogP5.90
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.06
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-N-(3-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
CID 141488721
7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
CID 141488516
7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide
CID 162658371
7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide
CID 156782494
sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride
CID 175590369
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998
6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide
CID 141488775
5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide
CID 86868986
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065294
N-(benzenesulfonyl)-2-(3-methoxyphenyl)acetamide
CID 139754173

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide?
The IUPAC name of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide (CID 141488863) is 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide.
What is the SMILES notation for 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide?
The canonical SMILES for 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide is COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccc(CC(C)C)c2)n3C)c1.
What is the InChIKey of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide?
The InChIKey is ZUZDASRRNPYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O4S/c1-17(2)13-18-7-5-10-21(14-18)36(33,34)30-27(32)25-16-22-24(12-11-23(28)26(22)31(25)3)29-19-8-6-9-20(15-19)35-4/h5-12,14-17,29H,13H2,1-4H3,(H,30,32).
What are the key properties of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide?
7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide has a molecular weight of 526.06 g/mol, XLogP of 5.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide is sourced from PubChem (CID 141488863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).