7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide

C24H22ClN3O5S — CID 141488454

IUPAC7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C)cc1
InChIInChI=1S/C24H22ClN3O5S/c1-28-22(24(29)27-34(30,31)18-9-7-16(32-2)8-10-18)14-19-21(12-11-20(25)23(19)28)26-15-5-4-6-17(13-15)33-3/h4-14,26H,1-3H3,(H,27,29)
InChIKeyJEHVWVLILUTLQN-UHFFFAOYSA-N
MW499.98 g/mol
LogP4.71
Rot. Bonds7

About 7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide

7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide (PubChem CID 141488454) has the molecular formula C24H22ClN3O5S and a molecular weight of 499.98 g/mol. Its IUPAC name is 7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
PubChem CID141488454
Molecular FormulaC24H22ClN3O5S
Molecular Weight499.98 g/mol
Exact Mass499.10
IUPAC Name7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C)cc1
InChIInChI=1S/C24H22ClN3O5S/c1-28-22(24(29)27-34(30,31)18-9-7-16(32-2)8-10-18)14-19-21(12-11-20(25)23(19)28)26-15-5-4-6-17(13-15)33-3/h4-14,26H,1-3H3,(H,27,29)
InChIKeyJEHVWVLILUTLQN-UHFFFAOYSA-N
XLogP4.71
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
The IUPAC name of 7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide (CID 141488454) is 7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide.
What is the SMILES notation for 7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
The canonical SMILES for 7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C)cc1.
What is the InChIKey of 7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
The InChIKey is JEHVWVLILUTLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5S/c1-28-22(24(29)27-34(30,31)18-9-7-16(32-2)8-10-18)14-19-21(12-11-20(25)23(19)28)26-15-5-4-6-17(13-15)33-3/h4-14,26H,1-3H3,(H,27,29).
What are the key properties of 7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
7-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide has a molecular weight of 499.98 g/mol, XLogP of 4.71, 7 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)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide is sourced from PubChem (CID 141488454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).