N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide

C12H19ClN2O2S — CID 79652238

IUPACN-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H19ClN2O2S/c1-12(2,8-14)9-15(3)18(16,17)11-6-4-5-10(13)7-11/h4-7H,8-9,14H2,1-3H3
InChIKeyVZQLZJDCRREHCE-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.95
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide (PubChem CID 79652238) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
PubChem CID79652238
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H19ClN2O2S/c1-12(2,8-14)9-15(3)18(16,17)11-6-4-5-10(13)7-11/h4-7H,8-9,14H2,1-3H3
InChIKeyVZQLZJDCRREHCE-UHFFFAOYSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide 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-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119991890
N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 119991572
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
N-(3-amino-2,2-dimethylpropyl)-3-cyano-N-methylbenzenesulfonamide
CID 79652328
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120712192
N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 120712190
N-(3-amino-2,2-dimethylpropyl)-3,5-difluoro-N-methylbenzenesulfonamide
CID 79653372
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 79645778
3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119991864
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119991436
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991472

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide (CID 79652238) is N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide is CN(CC(C)(C)CN)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide?
The InChIKey is VZQLZJDCRREHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-12(2,8-14)9-15(3)18(16,17)11-6-4-5-10(13)7-11/h4-7H,8-9,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 79652238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).