2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide

C18H22N4O3S — CID 176878991

IUPAC2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide
SMILESNC(=O)c1ccccc1S(=O)(=O)c1ccc(NCCN2CCCC2)nc1
InChIInChI=1S/C18H22N4O3S/c19-18(23)15-5-1-2-6-16(15)26(24,25)14-7-8-17(21-13-14)20-9-12-22-10-3-4-11-22/h1-2,5-8,13H,3-4,9-12H2,(H2,19,23)(H,20,21)
InChIKeyOYADPUGRXVSGRG-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.52
Rot. Bonds7

About 2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide

2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide (PubChem CID 176878991) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide.

Molecular Properties

Compound Name2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide
PubChem CID176878991
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide
SMILESNC(=O)c1ccccc1S(=O)(=O)c1ccc(NCCN2CCCC2)nc1
InChIInChI=1S/C18H22N4O3S/c19-18(23)15-5-1-2-6-16(15)26(24,25)14-7-8-17(21-13-14)20-9-12-22-10-3-4-11-22/h1-2,5-8,13H,3-4,9-12H2,(H2,19,23)(H,20,21)
InChIKeyOYADPUGRXVSGRG-UHFFFAOYSA-N
XLogP1.52
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133351391
6-(2-piperazin-1-ylethylamino)pyridine-3-sulfonamide
CID 43607786
1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 8531440
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide
CID 176879096
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
CID 55097569
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
2-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433052
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433115
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
6-[2-(4-methylpiperidin-1-yl)ethylamino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 55827762

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide?
The IUPAC name of 2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide (CID 176878991) is 2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide.
What is the SMILES notation for 2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide?
The canonical SMILES for 2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide is NC(=O)c1ccccc1S(=O)(=O)c1ccc(NCCN2CCCC2)nc1.
What is the InChIKey of 2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide?
The InChIKey is OYADPUGRXVSGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c19-18(23)15-5-1-2-6-16(15)26(24,25)14-7-8-17(21-13-14)20-9-12-22-10-3-4-11-22/h1-2,5-8,13H,3-4,9-12H2,(H2,19,23)(H,20,21).
What are the key properties of 2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide?
2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide has a molecular weight of 374.47 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide is sourced from PubChem (CID 176878991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).