N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide

C18H21N3O4S — CID 109059990

IUPACN-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C18H21N3O4S/c22-18(20-13-16-5-3-11-25-16)14-6-8-17(9-7-14)26(23,24)21-12-15-4-1-2-10-19-15/h1-2,4,6-10,16,21H,3,5,11-13H2,(H,20,22)
InChIKeyUFCAYPRAMYCZOE-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.47
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide

N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide (PubChem CID 109059990) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
PubChem CID109059990
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C18H21N3O4S/c22-18(20-13-16-5-3-11-25-16)14-6-8-17(9-7-14)26(23,24)21-12-15-4-1-2-10-19-15/h1-2,4,6-10,16,21H,3,5,11-13H2,(H,20,22)
InChIKeyUFCAYPRAMYCZOE-UHFFFAOYSA-N
XLogP1.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cycloheptylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 109059992
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
4-[(2-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24980882
4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 70787674
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059644
4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
CID 24552448
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24543349
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide (CID 109059990) is N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide is O=C(NCC1CCCO1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
The InChIKey is UFCAYPRAMYCZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-18(20-13-16-5-3-11-25-16)14-6-8-17(9-7-14)26(23,24)21-12-15-4-1-2-10-19-15/h1-2,4,6-10,16,21H,3,5,11-13H2,(H,20,22).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109059990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).