N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C17H19N3O3S — CID 18106799

IUPACN-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1
InChIInChI=1S/C17H19N3O3S/c1-13-4-9-16(18-12-13)19-17(21)14-5-7-15(8-6-14)24(22,23)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,18,19,21)
InChIKeyCPLHTMQCKXSIHU-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.43
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 18106799) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID18106799
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1
InChIInChI=1S/C17H19N3O3S/c1-13-4-9-16(18-12-13)19-17(21)14-5-7-15(8-6-14)24(22,23)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,18,19,21)
InChIKeyCPLHTMQCKXSIHU-UHFFFAOYSA-N
XLogP2.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-yl)benzamide
CID 219990
N-Benzoyl-N'-(2-pyridinyl)thiourea
CID 708470
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532
N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
N-(3-Methyl-2-pyridinyl)benzamide
CID 90211
N-(isoquinolin-1-yl)-4-methyl-3-(piperidin-1-ylsulfonyl)benzamide
CID 44446802
N-(6-methylpyridin-2-yl)-4-(morpholinosulfonyl)benzamide
CID 1356345
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 2347598
1-(4-Methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
CID 4062849

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 18106799) is N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CPLHTMQCKXSIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13-4-9-16(18-12-13)19-17(21)14-5-7-15(8-6-14)24(22,23)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,18,19,21).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 345.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18106799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).