4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

C17H19N3O4S — CID 97115789

IUPAC4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1
InChIInChI=1S/C17H19N3O4S/c21-17(19-11-13-2-1-8-18-10-13)14-3-5-16(6-4-14)25(22,23)20-15-7-9-24-12-15/h1-6,8,10,15,20H,7,9,11-12H2,(H,19,21)/t15-/m0/s1
InChIKeyWESKMKHQXKBCBK-HNNXBMFYSA-N
MW361.42 g/mol
LogP1.08
Rot. Bonds6

About 4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 97115789) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID97115789
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1
InChIInChI=1S/C17H19N3O4S/c21-17(19-11-13-2-1-8-18-10-13)14-3-5-16(6-4-14)25(22,23)20-15-7-9-24-12-15/h1-6,8,10,15,20H,7,9,11-12H2,(H,19,21)/t15-/m0/s1
InChIKeyWESKMKHQXKBCBK-HNNXBMFYSA-N
XLogP1.08
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840
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CID 109064880
N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide
CID 97188968
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 70734205
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
N-cyclohexyl-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97154955
3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110355634
3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 97201095
N-[[4-(oxan-4-ylsulfamoyl)phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 71726997
6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55845607

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (CID 97115789) is 4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1.
What is the InChIKey of 4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is WESKMKHQXKBCBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-17(19-11-13-2-1-8-18-10-13)14-3-5-16(6-4-14)25(22,23)20-15-7-9-24-12-15/h1-6,8,10,15,20H,7,9,11-12H2,(H,19,21)/t15-/m0/s1.
What are the key properties of 4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 361.42 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 97115789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).