N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

C13H22ClN3O3S — CID 119408016

IUPACN-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCCCN)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-10(2)16-20(18,19)12-6-3-5-11(9-12)13(17)15-8-4-7-14;/h3,5-6,9-10,16H,4,7-8,14H2,1-2H3,(H,15,17);1H
InChIKeyVYVSTXURAUMMOI-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.87
Rot. Bonds7

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

N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 119408016) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
PubChem CID119408016
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC NameN-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCCCN)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-10(2)16-20(18,19)12-6-3-5-11(9-12)13(17)15-8-4-7-14;/h3,5-6,9-10,16H,4,7-8,14H2,1-2H3,(H,15,17);1H
InChIKeyVYVSTXURAUMMOI-UHFFFAOYSA-N
XLogP0.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
3-(3-aminopropylsulfamoyl)-N-(2-methylsulfonylethyl)benzamide
CID 77080072
N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46461593
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229
N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26878695
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (CID 119408016) is N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is CC(C)NS(=O)(=O)c1cccc(C(=O)NCCCN)c1.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is VYVSTXURAUMMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-10(2)16-20(18,19)12-6-3-5-11(9-12)13(17)15-8-4-7-14;/h3,5-6,9-10,16H,4,7-8,14H2,1-2H3,(H,15,17);1H.
What are the key properties of N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119408016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).