N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride

C11H16ClN3O2S — CID 119982419

IUPACN-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1ccc(C#N)cc1.Cl
InChIInChI=1S/C11H15N3O2S.ClH/c1-9(7-12)14(2)17(15,16)11-5-3-10(8-13)4-6-11;/h3-6,9H,7,12H2,1-2H3;1H
InChIKeyIQHCTXDGBYZOSK-UHFFFAOYSA-N
MW289.79 g/mol
LogP0.95
Rot. Bonds4

About N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119982419) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119982419
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC NameN-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1ccc(C#N)cc1.Cl
InChIInChI=1S/C11H15N3O2S.ClH/c1-9(7-12)14(2)17(15,16)11-5-3-10(8-13)4-6-11;/h3-6,9H,7,12H2,1-2H3;1H
InChIKeyIQHCTXDGBYZOSK-UHFFFAOYSA-N
XLogP0.95
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119982559
N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride
CID 119982347
methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate
CID 119982539
N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
4-N-(1-aminopropan-2-yl)-1-N-cyclopropyl-4-N-methylbenzene-1,4-disulfonamide
CID 119982801
N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119982967
4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120875211
N-(1-aminopropan-2-yl)-3,4,5-trifluoro-N-methylbenzenesulfonamide
CID 119982906
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001878
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride (CID 119982419) is N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride is CC(CN)N(C)S(=O)(=O)c1ccc(C#N)cc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is IQHCTXDGBYZOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S.ClH/c1-9(7-12)14(2)17(15,16)11-5-3-10(8-13)4-6-11;/h3-6,9H,7,12H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 289.79 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119982419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).