N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide

C17H21ClN2O2S — CID 2325810

IUPACN-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide
SMILESCC(C)(CNCc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-17(2,13-19-12-14-6-4-3-5-7-14)20-23(21,22)16-10-8-15(18)9-11-16/h3-11,19-20H,12-13H2,1-2H3
InChIKeyNYOKNHHMURVZQR-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.19
Rot. Bonds7

About N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide

N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide (PubChem CID 2325810) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide
PubChem CID2325810
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC NameN-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide
SMILESCC(C)(CNCc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-17(2,13-19-12-14-6-4-3-5-7-14)20-23(21,22)16-10-8-15(18)9-11-16/h3-11,19-20H,12-13H2,1-2H3
InChIKeyNYOKNHHMURVZQR-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-[(4-chlorophenyl)sulfonyl]piperazine
CID 985373
N-Benzyl-4-chlorobenzenesulfonamide
CID 346194
4-[2-[(4-Chlorophenyl)methylamino]ethyl]benzenesulfonamide
CID 4722330
(2R)-2-[benzyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71458731
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
1-(4-Chlorobenzenesulfonyl)-4-(2-phenylethyl)piperazine
CID 8159803
1-(4-Chlorophenyl)sulfonyl-2-phenylpiperidine
CID 46884324
N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzenesulfonamide
CID 52149645
4-chloro-N-[2-phenyl-2-(piperidin-1-yl)ethyl]benzene-1-sulfonamide
CID 3116171
1-Benzyl-4-[(2,4-dichlorophenyl)sulfonyl]piperazine
CID 1075105
1-(3-Chlorobenzyl)-4-(phenylsulfonyl)piperazine
CID 1364863
1-(2-Chlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 2169034

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide (CID 2325810) is N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide is CC(C)(CNCc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide?
The InChIKey is NYOKNHHMURVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-17(2,13-19-12-14-6-4-3-5-7-14)20-23(21,22)16-10-8-15(18)9-11-16/h3-11,19-20H,12-13H2,1-2H3.
What are the key properties of N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide?
N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide has a molecular weight of 352.89 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2325810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).