N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide

C21H19N3O2S — CID 86230475

IUPACN-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide
SMILESCn1cc(C(NS(=O)(=O)c2ccccn2)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H19N3O2S/c1-24-15-18(17-11-5-6-12-19(17)24)21(16-9-3-2-4-10-16)23-27(25,26)20-13-7-8-14-22-20/h2-15,21,23H,1H3
InChIKeyGRMHBBBJYMUYAX-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.64
Rot. Bonds5

About N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide

N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide (PubChem CID 86230475) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide
PubChem CID86230475
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide
SMILESCn1cc(C(NS(=O)(=O)c2ccccn2)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H19N3O2S/c1-24-15-18(17-11-5-6-12-19(17)24)21(16-9-3-2-4-10-16)23-27(25,26)20-13-7-8-14-22-20/h2-15,21,23H,1H3
InChIKeyGRMHBBBJYMUYAX-UHFFFAOYSA-N
XLogP3.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-naphthalen-1-ylethyl]pyridine-2-sulfonamide
CID 11289932
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427
N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide
CID 122374418
N-hydroxy-1-methylindole-3-sulfonamide
CID 82287794
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 101377414
1-methyl-3-propan-2-ylindole
CID 10942942
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 97415042
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide?
The IUPAC name of N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide (CID 86230475) is N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide is Cn1cc(C(NS(=O)(=O)c2ccccn2)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide?
The InChIKey is GRMHBBBJYMUYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-24-15-18(17-11-5-6-12-19(17)24)21(16-9-3-2-4-10-16)23-27(25,26)20-13-7-8-14-22-20/h2-15,21,23H,1H3.
What are the key properties of N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide?
N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 86230475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).