4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide

C17H17ClF3NO2S — CID 22201407

IUPAC4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H17ClF3NO2S/c1-3-11(2)12-4-7-14(8-5-12)25(23,24)22-16-9-6-13(18)10-15(16)17(19,20)21/h4-11,22H,3H2,1-2H3
InChIKeyXNGXREPXJALETQ-UHFFFAOYSA-N
MW391.84 g/mol
LogP5.67
Rot. Bonds5

About 4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide

4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 22201407) has the molecular formula C17H17ClF3NO2S and a molecular weight of 391.84 g/mol. Its IUPAC name is 4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID22201407
Molecular FormulaC17H17ClF3NO2S
Molecular Weight391.84 g/mol
Exact Mass391.06
IUPAC Name4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H17ClF3NO2S/c1-3-11(2)12-4-7-14(8-5-12)25(23,24)22-16-9-6-13(18)10-15(16)17(19,20)21/h4-11,22H,3H2,1-2H3
InChIKeyXNGXREPXJALETQ-UHFFFAOYSA-N
XLogP5.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.84
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
4-[(2S)-butan-2-yl]-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 8523559
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 43063617
4-chloro-N-(3-methylpentan-2-yl)-2-(trifluoromethyl)aniline
CID 43105999
4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide
CID 22773581
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648292
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201415
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 22201407) is 4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is XNGXREPXJALETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3NO2S/c1-3-11(2)12-4-7-14(8-5-12)25(23,24)22-16-9-6-13(18)10-15(16)17(19,20)21/h4-11,22H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 391.84 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22201407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).