5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C16H24ClN3O3S — CID 119552011

IUPAC5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-11-3-6-14(23(21,22)18-12-4-5-12)9-15(11)16(20)19(2)13-7-8-17-10-13;/h3,6,9,12-13,17-18H,4-5,7-8,10H2,1-2H3;1H
InChIKeyVVMSIVDLINLRIO-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.29
Rot. Bonds5

About 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119552011) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119552011
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-11-3-6-14(23(21,22)18-12-4-5-12)9-15(11)16(20)19(2)13-7-8-17-10-13;/h3,6,9,12-13,17-18H,4-5,7-8,10H2,1-2H3;1H
InChIKeyVVMSIVDLINLRIO-UHFFFAOYSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 119554301
5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide
CID 119441544
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550537
2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid
CID 119202227
1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539619
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489788
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553054
5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide
CID 66186326
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552441
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119552011) is 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is VVMSIVDLINLRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c1-11-3-6-14(23(21,22)18-12-4-5-12)9-15(11)16(20)19(2)13-7-8-17-10-13;/h3,6,9,12-13,17-18H,4-5,7-8,10H2,1-2H3;1H.
What are the key properties of 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119552011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).