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

C23H19ClFN3O4S — CID 141488516

IUPAC7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc(F)cc2)n3C)c1
InChIInChI=1S/C23H19ClFN3O4S/c1-28-21(23(29)27-33(30,31)17-8-6-14(25)7-9-17)13-18-20(11-10-19(24)22(18)28)26-15-4-3-5-16(12-15)32-2/h3-13,26H,1-2H3,(H,27,29)
InChIKeyRNXQGJQSNYLCNH-UHFFFAOYSA-N
MW487.94 g/mol
LogP4.84
Rot. Bonds6

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

7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide (PubChem CID 141488516) has the molecular formula C23H19ClFN3O4S and a molecular weight of 487.94 g/mol. Its IUPAC name is 7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
PubChem CID141488516
Molecular FormulaC23H19ClFN3O4S
Molecular Weight487.94 g/mol
Exact Mass487.08
IUPAC Name7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc(F)cc2)n3C)c1
InChIInChI=1S/C23H19ClFN3O4S/c1-28-21(23(29)27-33(30,31)17-8-6-14(25)7-9-17)13-18-20(11-10-19(24)22(18)28)26-15-4-3-5-16(12-15)32-2/h3-13,26H,1-2H3,(H,27,29)
InChIKeyRNXQGJQSNYLCNH-UHFFFAOYSA-N
XLogP4.84
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 54.84
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-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
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
6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide
CID 141488775
4-(3-methoxyanilino)-7-nitro-N-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indole-2-carboxamide
CID 141488696
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998
4-fluoro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18893464
4-chloro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892649
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
The IUPAC name of 7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide (CID 141488516) is 7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide is COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc(F)cc2)n3C)c1.
What is the InChIKey of 7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
The InChIKey is RNXQGJQSNYLCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4S/c1-28-21(23(29)27-33(30,31)17-8-6-14(25)7-9-17)13-18-20(11-10-19(24)22(18)28)26-15-4-3-5-16(12-15)32-2/h3-13,26H,1-2H3,(H,27,29).
What are the key properties of 7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide has a molecular weight of 487.94 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide is sourced from PubChem (CID 141488516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).