4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride

C13H21Cl2N2O2S- — CID 53350877

IUPAC4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C13H21ClN2O2S.ClH/c1-13(2,10-16(3)4)9-15-19(17,18)12-7-5-11(14)6-8-12;/h5-8,15H,9-10H2,1-4H3;1H/p-1
InChIKeyXZIPECGSUWERFY-UHFFFAOYSA-M
MW340.30 g/mol
LogP-0.79
Rot. Bonds6

About 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride

4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride (PubChem CID 53350877) has the molecular formula C13H21Cl2N2O2S- and a molecular weight of 340.30 g/mol. Its IUPAC name is 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride.

Molecular Properties

Compound Name4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
PubChem CID53350877
Molecular FormulaC13H21Cl2N2O2S-
Molecular Weight340.30 g/mol
Exact Mass339.07
IUPAC Name4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C13H21ClN2O2S.ClH/c1-13(2,10-16(3)4)9-15-19(17,18)12-7-5-11(14)6-8-12;/h5-8,15H,9-10H2,1-4H3;1H/p-1
InChIKeyXZIPECGSUWERFY-UHFFFAOYSA-M
XLogP-0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
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-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide
CID 107442691
4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 3695989
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methoxybenzenesulfonamide
CID 6736491
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide
CID 9236304
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940813
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 29033224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride?
The IUPAC name of 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride (CID 53350877) is 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride.
What is the SMILES notation for 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride?
The canonical SMILES for 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride is CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1.[Cl-].
What is the InChIKey of 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride?
The InChIKey is XZIPECGSUWERFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H21ClN2O2S.ClH/c1-13(2,10-16(3)4)9-15-19(17,18)12-7-5-11(14)6-8-12;/h5-8,15H,9-10H2,1-4H3;1H/p-1.
What are the key properties of 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride?
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride has a molecular weight of 340.30 g/mol, XLogP of -0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride is sourced from PubChem (CID 53350877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).