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

C15H24ClN3O3S — CID 119498741

IUPACN-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11(16)7-8-17-15(19)13-3-2-4-14(9-13)22(20,21)18-10-12-5-6-12;/h2-4,9,11-12,18H,5-8,10,16H2,1H3,(H,17,19);1H
InChIKeyYMOITUKWNZLNLU-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.26
Rot. Bonds8

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

N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119498741) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119498741
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11(16)7-8-17-15(19)13-3-2-4-14(9-13)22(20,21)18-10-12-5-6-12;/h2-4,9,11-12,18H,5-8,10,16H2,1H3,(H,17,19);1H
InChIKeyYMOITUKWNZLNLU-UHFFFAOYSA-N
XLogP1.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37002294
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119599772
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride (CID 119498741) is N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride is CC(N)CCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is YMOITUKWNZLNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-11(16)7-8-17-15(19)13-3-2-4-14(9-13)22(20,21)18-10-12-5-6-12;/h2-4,9,11-12,18H,5-8,10,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119498741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).