3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C15H24ClN3O3S — CID 119513593

IUPAC3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCC2CCCN2)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11(2)18-22(20,21)14-7-3-5-12(9-14)15(19)17-10-13-6-4-8-16-13;/h3,5,7,9,11,13,16,18H,4,6,8,10H2,1-2H3,(H,17,19);1H
InChIKeyPJNXTAIYFZDLDW-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.28
Rot. Bonds6

About 3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119513593) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119513593
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCC2CCCN2)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11(2)18-22(20,21)14-7-3-5-12(9-14)15(19)17-10-13-6-4-8-16-13;/h3,5,7,9,11,13,16,18H,4,6,8,10H2,1-2H3,(H,17,19);1H
InChIKeyPJNXTAIYFZDLDW-UHFFFAOYSA-N
XLogP1.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919
3-[(3-chlorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513853
3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511835
N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride
CID 154899456
3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 121367800
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513016
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229
3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974575
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62540597
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119513593) is 3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is CC(C)NS(=O)(=O)c1cccc(C(=O)NCC2CCCN2)c1.Cl.
What is the InChIKey of 3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is PJNXTAIYFZDLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-11(2)18-22(20,21)14-7-3-5-12(9-14)15(19)17-10-13-6-4-8-16-13;/h3,5,7,9,11,13,16,18H,4,6,8,10H2,1-2H3,(H,17,19);1H.
What are the key properties of 3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119513593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).