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

C23H20ClN3O4S — CID 141488810

IUPACN-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2)n3C)c1
InChIInChI=1S/C23H20ClN3O4S/c1-27-21(23(28)26-32(29,30)17-9-4-3-5-10-17)14-18-20(12-11-19(24)22(18)27)25-15-7-6-8-16(13-15)31-2/h3-14,25H,1-2H3,(H,26,28)
InChIKeyNPMYXZKJVVCHPA-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.70
Rot. Bonds6

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

N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide (PubChem CID 141488810) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
PubChem CID141488810
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC NameN-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2)n3C)c1
InChIInChI=1S/C23H20ClN3O4S/c1-27-21(23(28)26-32(29,30)17-9-4-3-5-10-17)14-18-20(12-11-19(24)22(18)27)25-15-7-6-8-16(13-15)31-2/h3-14,25H,1-2H3,(H,26,28)
InChIKeyNPMYXZKJVVCHPA-UHFFFAOYSA-N
XLogP4.70
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide (CID 141488810) is N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide is COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2)n3C)c1.
What is the InChIKey of N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
The InChIKey is NPMYXZKJVVCHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-27-21(23(28)26-32(29,30)17-9-4-3-5-10-17)14-18-20(12-11-19(24)22(18)27)25-15-7-6-8-16(13-15)31-2/h3-14,25H,1-2H3,(H,26,28).
What are the key properties of N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide has a molecular weight of 469.95 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-7-chloro-4-(3-methoxyanilino)-1-methylindole-2-carboxamide is sourced from PubChem (CID 141488810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).