4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C18H20ClN3O3S — CID 18162991

IUPAC4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cccnc1
InChIInChI=1S/C18H20ClN3O3S/c1-13(15-5-4-8-20-12-15)21-18(23)14-6-7-16(19)17(11-14)26(24,25)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23)
InChIKeyUZUMILOVHBWMPL-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.01
Rot. Bonds5

About 4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 18162991) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID18162991
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cccnc1
InChIInChI=1S/C18H20ClN3O3S/c1-13(15-5-4-8-20-12-15)21-18(23)14-6-7-16(19)17(11-14)26(24,25)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23)
InChIKeyUZUMILOVHBWMPL-UHFFFAOYSA-N
XLogP3.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988
3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193124
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
3-(azepan-1-ylsulfonyl)-4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]benzamide
CID 132674694
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132666739
4-chloro-N-[(2S)-3-methylbutan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8923234
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 94026864
4-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38017636
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883024
4-chloro-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43876229
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 18162991) is 4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is CC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cccnc1.
What is the InChIKey of 4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is UZUMILOVHBWMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13(15-5-4-8-20-12-15)21-18(23)14-6-7-16(19)17(11-14)26(24,25)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23).
What are the key properties of 4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 393.90 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18162991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).