4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide

C12H19ClN2O2S — CID 2998755

IUPAC4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCN(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2O2S/c1-12(2,9-15(3)4)14-18(16,17)11-7-5-10(13)6-8-11/h5-8,14H,9H2,1-4H3
InChIKeyBQRFFQUDROQXBU-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.96
Rot. Bonds5

About 4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide

4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide (PubChem CID 2998755) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide
PubChem CID2998755
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCN(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2O2S/c1-12(2,9-15(3)4)14-18(16,17)11-7-5-10(13)6-8-11/h5-8,14H,9H2,1-4H3
InChIKeyBQRFFQUDROQXBU-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorobenzenesulfonyl)piperazine
CID 801806
RN1734
CID 3601086
1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
Benzenesulfonamide, p-chloro-N-(2-diethylaminoethyl)-
CID 208542
N,N-Dibutyl-4-chlorobenzenesulfonamide
CID 31385
N-Butyl-4-chlorobenzenesulfonamide
CID 101303
4-Chloro-N-(4-methyl-piperazin-1-yl)-benzenesulfonamide
CID 785891
4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314574
4-chloro-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 4104699
4-Chloro-n-propylbenzenesulfonamide
CID 101302
4-chloro-N-[1,1-dimethyl-2-(1-piperazinyl)ethyl]benzenesulfonamide
CID 768502
4-chloro-N-[1,1-dimethyl-2-(1-piperidinyl)ethyl]benzenesulfonamide
CID 786532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide (CID 2998755) is 4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide is CN(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide?
The InChIKey is BQRFFQUDROQXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-12(2,9-15(3)4)14-18(16,17)11-7-5-10(13)6-8-11/h5-8,14H,9H2,1-4H3.
What are the key properties of 4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide?
4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2998755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).