7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide

C23H21ClN4O5S — CID 156782494

IUPAC7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)n4)ccc(Cl)c3n2C)cc1
InChIInChI=1S/C23H21ClN4O5S/c1-28-19(23(29)27-34(30,31)15-9-7-14(32-2)8-10-15)13-16-18(12-11-17(24)22(16)28)25-20-5-4-6-21(26-20)33-3/h4-13H,1-3H3,(H,25,26)(H,27,29)
InChIKeySHMFSJLZNDTUFZ-UHFFFAOYSA-N
MW500.96 g/mol
LogP4.11
Rot. Bonds7

About 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide

7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide (PubChem CID 156782494) has the molecular formula C23H21ClN4O5S and a molecular weight of 500.96 g/mol. Its IUPAC name is 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide
PubChem CID156782494
Molecular FormulaC23H21ClN4O5S
Molecular Weight500.96 g/mol
Exact Mass500.09
IUPAC Name7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)n4)ccc(Cl)c3n2C)cc1
InChIInChI=1S/C23H21ClN4O5S/c1-28-19(23(29)27-34(30,31)15-9-7-14(32-2)8-10-15)13-16-18(12-11-17(24)22(16)28)25-20-5-4-6-21(26-20)33-3/h4-13H,1-3H3,(H,25,26)(H,27,29)
InChIKeySHMFSJLZNDTUFZ-UHFFFAOYSA-N
XLogP4.11
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.96
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide with MolForge

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Related Compounds

sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride
CID 175590369
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-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]indole-2-carboxamide
CID 162658371
7-chloro-4-(3-methoxyanilino)-1-methyl-N-[3-(2-methylpropyl)phenyl]sulfonylindole-2-carboxamide
CID 141488863
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide
CID 141488775
4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 71858686
N-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide
CID 22007146
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide?
The IUPAC name of 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide (CID 156782494) is 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)n4)ccc(Cl)c3n2C)cc1.
What is the InChIKey of 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide?
The InChIKey is SHMFSJLZNDTUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O5S/c1-28-19(23(29)27-34(30,31)15-9-7-14(32-2)8-10-15)13-16-18(12-11-17(24)22(16)28)25-20-5-4-6-21(26-20)33-3/h4-13H,1-3H3,(H,25,26)(H,27,29).
What are the key properties of 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide?
7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide has a molecular weight of 500.96 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide is sourced from PubChem (CID 156782494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).