4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide

C12H15ClF3NO3S — CID 66109305

IUPAC4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(CCO)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H15ClF3NO3S/c1-8(4-5-18)7-17-21(19,20)11-3-2-9(13)6-10(11)12(14,15)16/h2-3,6,8,17-18H,4-5,7H2,1H3
InChIKeyDQUDBCJQGWNDPD-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.66
Rot. Bonds6

About 4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 66109305) has the molecular formula C12H15ClF3NO3S and a molecular weight of 345.77 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID66109305
Molecular FormulaC12H15ClF3NO3S
Molecular Weight345.77 g/mol
Exact Mass345.04
IUPAC Name4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(CCO)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H15ClF3NO3S/c1-8(4-5-18)7-17-21(19,20)11-3-2-9(13)6-10(11)12(14,15)16/h2-3,6,8,17-18H,4-5,7H2,1H3
InChIKeyDQUDBCJQGWNDPD-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011
4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75444567
4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 103918517
4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 42938556
N-(4-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 66109314
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
N-(4-hydroxy-2-methylbutyl)-2,5-dimethylbenzenesulfonamide
CID 66108868
3-amino-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66091028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide (CID 66109305) is 4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide is CC(CCO)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DQUDBCJQGWNDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO3S/c1-8(4-5-18)7-17-21(19,20)11-3-2-9(13)6-10(11)12(14,15)16/h2-3,6,8,17-18H,4-5,7H2,1H3.
What are the key properties of 4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 345.77 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 66109305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).