N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C16H16ClN3O3S — CID 1117956

IUPACN-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H16ClN3O3S/c17-13-6-7-15(18-11-13)19-16(21)12-4-3-5-14(10-12)24(22,23)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,18,19,21)
InChIKeyCOWOZGHOUXRWEM-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.77
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1117956) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1117956
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC NameN-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H16ClN3O3S/c17-13-6-7-15(18-11-13)19-16(21)12-4-3-5-14(10-12)24(22,23)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,18,19,21)
InChIKeyCOWOZGHOUXRWEM-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(((5-Chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide
CID 24794406
2-chloro-N-(5-chloropyridin-2-yl)-5-methylsulfanylbenzamide
CID 690117
N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
2-chloro-N-(5-methylpyridin-2-yl)-5-methylsulfanylbenzamide
CID 1224965
2-Chloro-N-pyridin-3-yl-5-(pyrrolidine-1-sulfonyl)-benzamide
CID 1316771
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 2347598
N-((5-chloropyridin-2-yl)carbamoyl)benzamide
CID 2987279
4-chloro-N-[4-[(5-methylpyridin-2-yl)amino]-4-oxobutyl]benzamide
CID 18106807
4-chloro-N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24686092
4-Chloro-N-{3-[(4-methylpyridin-2-yl)amino]-3-oxopropyl}benzamide
CID 24687552
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1117956) is N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is COWOZGHOUXRWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-13-6-7-15(18-11-13)19-16(21)12-4-3-5-14(10-12)24(22,23)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,18,19,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 365.84 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1117956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).