N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride

C14H22ClN3O3S — CID 119495504

IUPACN-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10(15)7-8-16-14(18)11-3-2-4-13(9-11)21(19,20)17-12-5-6-12;/h2-4,9-10,12,17H,5-8,15H2,1H3,(H,16,18);1H
InChIKeyKXQLDUQNYBKHEG-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.02
Rot. Bonds7

About N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride

N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride (PubChem CID 119495504) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
PubChem CID119495504
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10(15)7-8-16-14(18)11-3-2-4-13(9-11)21(19,20)17-12-5-6-12;/h2-4,9-10,12,17H,5-8,15H2,1H3,(H,16,18);1H
InChIKeyKXQLDUQNYBKHEG-UHFFFAOYSA-N
XLogP1.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119605990
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27174310

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride (CID 119495504) is N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride is CC(N)CCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride?
The InChIKey is KXQLDUQNYBKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-10(15)7-8-16-14(18)11-3-2-4-13(9-11)21(19,20)17-12-5-6-12;/h2-4,9-10,12,17H,5-8,15H2,1H3,(H,16,18);1H.
What are the key properties of N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride?
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119495504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).