7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide

C26H25ClN4O4S — CID 162658371

IUPAC7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc4c(c2)CCN4C)n3C)c1
InChIInChI=1S/C26H25ClN4O4S/c1-30-12-11-16-13-19(7-10-23(16)30)36(33,34)29-26(32)24-15-20-22(9-8-21(27)25(20)31(24)2)28-17-5-4-6-18(14-17)35-3/h4-10,13-15,28H,11-12H2,1-3H3,(H,29,32)
InChIKeyAGHRMVGWPNOAIL-UHFFFAOYSA-N
MW525.03 g/mol
LogP4.69
Rot. Bonds6

About 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide

7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide (PubChem CID 162658371) has the molecular formula C26H25ClN4O4S and a molecular weight of 525.03 g/mol. Its IUPAC name is 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide
PubChem CID162658371
Molecular FormulaC26H25ClN4O4S
Molecular Weight525.03 g/mol
Exact Mass524.13
IUPAC Name7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc4c(c2)CCN4C)n3C)c1
InChIInChI=1S/C26H25ClN4O4S/c1-30-12-11-16-13-19(7-10-23(16)30)36(33,34)29-26(32)24-15-20-22(9-8-21(27)25(20)31(24)2)28-17-5-4-6-18(14-17)35-3/h4-10,13-15,28H,11-12H2,1-3H3,(H,29,32)
InChIKeyAGHRMVGWPNOAIL-UHFFFAOYSA-N
XLogP4.69
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.03
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
CID 141488516
7-chloro-N-(3-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
CID 141488721
7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide
CID 141488863
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)-1-methyl-2,3-dihydroindol-5-amine
CID 82537037
N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537025
6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide
CID 141488775
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998
1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
CID 159369435
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
1-methyl-2,3-dihydroindole-5-sulfonic acid
CID 57117417

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide?
The IUPAC name of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide (CID 162658371) is 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide.
What is the SMILES notation for 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide?
The canonical SMILES for 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide is COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc4c(c2)CCN4C)n3C)c1.
What is the InChIKey of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide?
The InChIKey is AGHRMVGWPNOAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O4S/c1-30-12-11-16-13-19(7-10-23(16)30)36(33,34)29-26(32)24-15-20-22(9-8-21(27)25(20)31(24)2)28-17-5-4-6-18(14-17)35-3/h4-10,13-15,28H,11-12H2,1-3H3,(H,29,32).
What are the key properties of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide?
7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide has a molecular weight of 525.03 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide is sourced from PubChem (CID 162658371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).