N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide

C17H16N2O4S — CID 86868998

IUPACN-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2cc3ccccc3n2C)c1
InChIInChI=1S/C17H16N2O4S/c1-19-15-9-4-3-6-12(15)10-16(19)17(20)18-24(21,22)14-8-5-7-13(11-14)23-2/h3-11H,1-2H3,(H,18,20)
InChIKeyVDBMUKBETHQPMU-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.31
Rot. Bonds4

About N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide

N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide (PubChem CID 86868998) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
PubChem CID86868998
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2cc3ccccc3n2C)c1
InChIInChI=1S/C17H16N2O4S/c1-19-15-9-4-3-6-12(15)10-16(19)17(20)18-24(21,22)14-8-5-7-13(11-14)23-2/h3-11H,1-2H3,(H,18,20)
InChIKeyVDBMUKBETHQPMU-UHFFFAOYSA-N
XLogP2.31
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide
CID 60529287
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide
CID 86868986
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 146123058
N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide
CID 47480088
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
N-[1-[[(4S)-1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide
CID 54506254
ethane;1-(3-methoxyphenyl)sulfonylindole
CID 157094822
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
phenyl 1-methylindole-2-carboxylate
CID 47299897
7-chloro-N-(3-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
CID 141488721

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide (CID 86868998) is N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide is COc1cccc(S(=O)(=O)NC(=O)c2cc3ccccc3n2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
The InChIKey is VDBMUKBETHQPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-19-15-9-4-3-6-12(15)10-16(19)17(20)18-24(21,22)14-8-5-7-13(11-14)23-2/h3-11H,1-2H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide is sourced from PubChem (CID 86868998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).