N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride

C14H25ClN2O2S — CID 119987953

IUPACN-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-5-11(2)12-6-8-13(9-7-12)19(17,18)16-10-14(3,4)15;/h6-9,11,16H,5,10,15H2,1-4H3;1H
InChIKeyCZBSWFIIKTWFTD-UHFFFAOYSA-N
MW320.89 g/mol
LogP2.64
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 119987953) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID119987953
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-5-11(2)12-6-8-13(9-7-12)19(17,18)16-10-14(3,4)15;/h6-9,11,16H,5,10,15H2,1-4H3;1H
InChIKeyCZBSWFIIKTWFTD-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;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-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328
4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 2096189
4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 4264715
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 119988012

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride (CID 119987953) is N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride is CCC(C)c1ccc(S(=O)(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is CZBSWFIIKTWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-5-11(2)12-6-8-13(9-7-12)19(17,18)16-10-14(3,4)15;/h6-9,11,16H,5,10,15H2,1-4H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119987953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).