4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide

C12H15ClF3NO3S — CID 79378408

IUPAC4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H15ClF3NO3S/c1-11(2,18)7-17(3)21(19,20)10-5-4-8(13)6-9(10)12(14,15)16/h4-6,18H,7H2,1-3H3
InChIKeyBEZLBWJMKOFZSI-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.75
Rot. Bonds4

About 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 79378408) has the molecular formula C12H15ClF3NO3S and a molecular weight of 345.77 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID79378408
Molecular FormulaC12H15ClF3NO3S
Molecular Weight345.77 g/mol
Exact Mass345.04
IUPAC Name4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H15ClF3NO3S/c1-11(2,18)7-17(3)21(19,20)10-5-4-8(13)6-9(10)12(14,15)16/h4-6,18H,7H2,1-3H3
InChIKeyBEZLBWJMKOFZSI-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387779
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 8815729
4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134018087
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
5-chloro-2-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387594
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781
4-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 75509763
2-chloro-4-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 103990035
N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 7937672
4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 134018860
4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891916
3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387697

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide (CID 79378408) is 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BEZLBWJMKOFZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO3S/c1-11(2,18)7-17(3)21(19,20)10-5-4-8(13)6-9(10)12(14,15)16/h4-6,18H,7H2,1-3H3.
What are the key properties of 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 345.77 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 79378408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).