N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C16H17N3O4S — CID 24688048

IUPACN-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H17N3O4S/c20-14-7-4-8-17-15(14)18-16(21)12-5-3-6-13(11-12)24(22,23)19-9-1-2-10-19/h3-8,11,20H,1-2,9-10H2,(H,17,18,21)
InChIKeyVOZPUHVHPBYIPD-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.82
Rot. Bonds4

About N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 24688048) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID24688048
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H17N3O4S/c20-14-7-4-8-17-15(14)18-16(21)12-5-3-6-13(11-12)24(22,23)19-9-1-2-10-19/h3-8,11,20H,1-2,9-10H2,(H,17,18,21)
InChIKeyVOZPUHVHPBYIPD-UHFFFAOYSA-N
XLogP1.82
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-pyridinyl)benzamide
CID 90342568
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(3-methyl-2-pyridinyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332424
3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 134052502
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 24688048) is N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VOZPUHVHPBYIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c20-14-7-4-8-17-15(14)18-16(21)12-5-3-6-13(11-12)24(22,23)19-9-1-2-10-19/h3-8,11,20H,1-2,9-10H2,(H,17,18,21).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 347.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24688048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).