3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide

C11H15Cl2NO3S — CID 79387697

IUPAC3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO3S/c1-11(2,15)7-14(3)18(16,17)8-4-5-9(12)10(13)6-8/h4-6,15H,7H2,1-3H3
InChIKeyGSCSQWMDKLRIRP-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.38
Rot. Bonds4

About 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide

3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide (PubChem CID 79387697) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
PubChem CID79387697
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO3S/c1-11(2,15)7-14(3)18(16,17)8-4-5-9(12)10(13)6-8/h4-6,15H,7H2,1-3H3
InChIKeyGSCSQWMDKLRIRP-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide 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

4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 115330222
3-chloro-4-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 112547861
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387236
3-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 113288382
3-chloro-N-(2,2-dimethylpropyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090736
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781
2-chloro-4-[2,2-dimethylpropyl(methyl)sulfamoyl]benzoic acid
CID 107090039
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
3-amino-N-(2-hydroxy-2-methylpropyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79382417
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387779
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82847270

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide (CID 79387697) is 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The InChIKey is GSCSQWMDKLRIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-11(2,15)7-14(3)18(16,17)8-4-5-9(12)10(13)6-8/h4-6,15H,7H2,1-3H3.
What are the key properties of 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 79387697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).