3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide

C19H23N3O3S — CID 119451588

IUPAC3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)NC2CCNC2)c1)c1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-14(15-6-3-2-4-7-15)22-26(24,25)18-9-5-8-16(12-18)19(23)21-17-10-11-20-13-17/h2-9,12,14,17,20,22H,10-11,13H2,1H3,(H,21,23)
InChIKeyXIQQZCSGKVYIDA-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.82
Rot. Bonds6

About 3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide

3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 119451588) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID119451588
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)NC2CCNC2)c1)c1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-14(15-6-3-2-4-7-15)22-26(24,25)18-9-5-8-16(12-18)19(23)21-17-10-11-20-13-17/h2-9,12,14,17,20,22H,10-11,13H2,1H3,(H,21,23)
InChIKeyXIQQZCSGKVYIDA-UHFFFAOYSA-N
XLogP1.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119458558
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77096218
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 120655257

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide (CID 119451588) is 3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide is CC(NS(=O)(=O)c1cccc(C(=O)NC2CCNC2)c1)c1ccccc1.
What is the InChIKey of 3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is XIQQZCSGKVYIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14(15-6-3-2-4-7-15)22-26(24,25)18-9-5-8-16(12-18)19(23)21-17-10-11-20-13-17/h2-9,12,14,17,20,22H,10-11,13H2,1H3,(H,21,23).
What are the key properties of 3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119451588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).