4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide

C16H23N3O4S — CID 119450353

IUPAC4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H23N3O4S/c20-16(19-13-7-8-17-10-13)12-3-5-15(6-4-12)24(21,22)18-11-14-2-1-9-23-14/h3-6,13-14,17-18H,1-2,7-11H2,(H,19,20)
InChIKeyQGHKMMXGJPHHIW-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.24
Rot. Bonds6

About 4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide

4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 119450353) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID119450353
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H23N3O4S/c20-16(19-13-7-8-17-10-13)12-3-5-15(6-4-12)24(21,22)18-11-14-2-1-9-23-14/h3-6,13-14,17-18H,1-2,7-11H2,(H,19,20)
InChIKeyQGHKMMXGJPHHIW-UHFFFAOYSA-N
XLogP0.24
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55959805
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24633069
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119601403
N-[2-(4-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9392189
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 34239048

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide (CID 119450353) is 4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is QGHKMMXGJPHHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c20-16(19-13-7-8-17-10-13)12-3-5-15(6-4-12)24(21,22)18-11-14-2-1-9-23-14/h3-6,13-14,17-18H,1-2,7-11H2,(H,19,20).
What are the key properties of 4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 353.44 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119450353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).