3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride

C14H20ClN3O3S — CID 119450174

IUPAC3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H19N3O3S.ClH/c18-14(16-12-6-7-15-9-12)10-2-1-3-13(8-10)21(19,20)17-11-4-5-11;/h1-3,8,11-12,15,17H,4-7,9H2,(H,16,18);1H
InChIKeyYDBDVLSRTYKDHM-UHFFFAOYSA-N
MW345.85 g/mol
LogP0.64
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride

3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119450174) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119450174
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H19N3O3S.ClH/c18-14(16-12-6-7-15-9-12)10-2-1-3-13(8-10)21(19,20)17-11-4-5-11;/h1-3,8,11-12,15,17H,4-7,9H2,(H,16,18);1H
InChIKeyYDBDVLSRTYKDHM-UHFFFAOYSA-N
XLogP0.64
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119424342
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588
3-(cyclopropylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460525
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424807
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964549
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 99927465
3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77084633

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119450174) is 3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNC1)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is YDBDVLSRTYKDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S.ClH/c18-14(16-12-6-7-15-9-12)10-2-1-3-13(8-10)21(19,20)17-11-4-5-11;/h1-3,8,11-12,15,17H,4-7,9H2,(H,16,18);1H.
What are the key properties of 3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119450174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).