2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C17H19N3O4S — CID 43853684

IUPAC2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)n1
InChIInChI=1S/C17H19N3O4S/c1-12-5-4-6-16(18-12)19-17(22)14-11-13(7-8-15(14)21)25(23,24)20-9-2-3-10-20/h4-8,11,21H,2-3,9-10H2,1H3,(H,18,19,22)
InChIKeyYMTPWTOECRNYFG-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.13
Rot. Bonds4

About 2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 43853684) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID43853684
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)n1
InChIInChI=1S/C17H19N3O4S/c1-12-5-4-6-16(18-12)19-17(22)14-11-13(7-8-15(14)21)25(23,24)20-9-2-3-10-20/h4-8,11,21H,2-3,9-10H2,1H3,(H,18,19,22)
InChIKeyYMTPWTOECRNYFG-UHFFFAOYSA-N
XLogP2.13
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43853676
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35036483
2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 29285613
2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 167880912
2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853467
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
CID 46652299
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
(3R)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51719157
2-bromo-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26362599
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 30748290

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 43853684) is 2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)n1.
What is the InChIKey of 2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YMTPWTOECRNYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-12-5-4-6-16(18-12)19-17(22)14-11-13(7-8-15(14)21)25(23,24)20-9-2-3-10-20/h4-8,11,21H,2-3,9-10H2,1H3,(H,18,19,22).
What are the key properties of 2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 361.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43853684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).