N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide

C17H22N2O2S — CID 91136182

IUPACN-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide
SMILESCC(C)(N)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,18)14-19(13-15-9-5-3-6-10-15)22(20,21)16-11-7-4-8-12-16/h3-12H,13-14,18H2,1-2H3
InChIKeyQWRQJBKGSWATET-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.61
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide

N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide (PubChem CID 91136182) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide
PubChem CID91136182
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide
SMILESCC(C)(N)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,18)14-19(13-15-9-5-3-6-10-15)22(20,21)16-11-7-4-8-12-16/h3-12H,13-14,18H2,1-2H3
InChIKeyQWRQJBKGSWATET-UHFFFAOYSA-N
XLogP2.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide 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-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 51258343
N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide
CID 99789218
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide (CID 91136182) is N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide is CC(C)(N)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide?
The InChIKey is QWRQJBKGSWATET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-17(2,18)14-19(13-15-9-5-3-6-10-15)22(20,21)16-11-7-4-8-12-16/h3-12H,13-14,18H2,1-2H3.
What are the key properties of N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide?
N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide is sourced from PubChem (CID 91136182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).