1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide

C21H17N3O3S — CID 71731527

IUPAC1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17N3O3S/c25-21(23-15-16-10-12-22-13-11-16)20-14-17-6-4-5-9-19(17)24(20)28(26,27)18-7-2-1-3-8-18/h1-14H,15H2,(H,23,25)
InChIKeyFNYVRYJSDITDHH-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.20
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide

1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide (PubChem CID 71731527) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide
PubChem CID71731527
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17N3O3S/c25-21(23-15-16-10-12-22-13-11-16)20-14-17-6-4-5-9-19(17)24(20)28(26,27)18-7-2-1-3-8-18/h1-14H,15H2,(H,23,25)
InChIKeyFNYVRYJSDITDHH-UHFFFAOYSA-N
XLogP3.20
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
CID 56955530
1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-one
CID 23254190
1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110852155
[1-(benzenesulfonyl)indol-2-yl]-(3,5-dibromo-1,2,4-triazol-1-yl)methanone
CID 175588444
N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide
CID 11733543
dimethyl (Z)-2-[1-(benzenesulfonyl)indol-2-yl]-3-(1-methylpyrrol-2-yl)but-2-enedioate
CID 10600714
CID 88588324
CID 88588324
3-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299617
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide (CID 71731527) is 1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide is O=C(NCc1ccncc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The InChIKey is FNYVRYJSDITDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-21(23-15-16-10-12-22-13-11-16)20-14-17-6-4-5-9-19(17)24(20)28(26,27)18-7-2-1-3-8-18/h1-14H,15H2,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 71731527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).