N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride

C13H22ClN3O3S — CID 119383832

IUPACN-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCN)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-10(2)16(3)20(18,19)12-6-4-5-11(9-12)13(17)15-8-7-14;/h4-6,9-10H,7-8,14H2,1-3H3,(H,15,17);1H
InChIKeyOIFOQKGKDYSNIJ-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.83
Rot. Bonds6

About N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride

N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119383832) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
PubChem CID119383832
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC NameN-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCN)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-10(2)16(3)20(18,19)12-6-4-5-11(9-12)13(17)15-8-7-14;/h4-6,9-10H,7-8,14H2,1-3H3,(H,15,17);1H
InChIKeyOIFOQKGKDYSNIJ-UHFFFAOYSA-N
XLogP0.83
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119641846
N-[4-(4-chloroanilino)-4-oxobutyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55862340
N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119383856
benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate
CID 26878123
N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55711315
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119590640

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride (CID 119383832) is N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCN)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is OIFOQKGKDYSNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-10(2)16(3)20(18,19)12-6-4-5-11(9-12)13(17)15-8-7-14;/h4-6,9-10H,7-8,14H2,1-3H3,(H,15,17);1H.
What are the key properties of N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119383832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).