N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C17H19N3O3S — CID 683251

IUPACN-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H19N3O3S/c21-17(19-13-14-5-4-8-18-12-14)15-6-3-7-16(11-15)24(22,23)20-9-1-2-10-20/h3-8,11-12H,1-2,9-10,13H2,(H,19,21)
InChIKeyLFMNRHKNZHRNRC-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.80
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 683251) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID683251
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H19N3O3S/c21-17(19-13-14-5-4-8-18-12-14)15-6-3-7-16(11-15)24(22,23)20-9-1-2-10-20/h3-8,11-12H,1-2,9-10,13H2,(H,19,21)
InChIKeyLFMNRHKNZHRNRC-UHFFFAOYSA-N
XLogP1.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
CID 155144635
4-Acetyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 746813
Tubulin inhibitor 11
CID 139369407
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
N-(4-Pyridinylmethyl)benzamide
CID 321326
Sulfonamide deriv., 7i
CID 44520905
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
2-(methylthio)-N-(3-pyridinylmethyl)benzamide
CID 1243089

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 683251) is N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LFMNRHKNZHRNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(19-13-14-5-4-8-18-12-14)15-6-3-7-16(11-15)24(22,23)20-9-1-2-10-20/h3-8,11-12H,1-2,9-10,13H2,(H,19,21).
What are the key properties of N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 345.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 683251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).