4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

C22H22N4O3S — CID 30217600

IUPAC4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N4O3S/c27-22(24-19-12-13-21(23-16-19)26-14-4-5-15-26)17-8-10-18(11-9-17)25-30(28,29)20-6-2-1-3-7-20/h1-3,6-13,16,25H,4-5,14-15H2,(H,24,27)
InChIKeyWEIDDKQQTIOTOK-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.73
Rot. Bonds6

About 4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 30217600) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID30217600
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N4O3S/c27-22(24-19-12-13-21(23-16-19)26-14-4-5-15-26)17-8-10-18(11-9-17)25-30(28,29)20-6-2-1-3-7-20/h1-3,6-13,16,25H,4-5,14-15H2,(H,24,27)
InChIKeyWEIDDKQQTIOTOK-UHFFFAOYSA-N
XLogP3.73
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
2-[(4-chlorophenyl)sulfonylamino]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55519672
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30267246
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
3-(methanesulfonamido)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 24612207
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
N-[6-(azepan-1-yl)-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113015975

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 30217600) is 4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is WEIDDKQQTIOTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c27-22(24-19-12-13-21(23-16-19)26-14-4-5-15-26)17-8-10-18(11-9-17)25-30(28,29)20-6-2-1-3-7-20/h1-3,6-13,16,25H,4-5,14-15H2,(H,24,27).
What are the key properties of 4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 422.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 30217600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).