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

C16H16F3NO2S — CID 3791590

IUPAC4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11(2)12-3-9-15(10-4-12)23(21,22)20-14-7-5-13(6-8-14)16(17,18)19/h3-11,20H,1-2H3
InChIKeyMMLVDEWBRZLSFE-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.63
Rot. Bonds4

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

4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3791590) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3791590
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11(2)12-3-9-15(10-4-12)23(21,22)20-14-7-5-13(6-8-14)16(17,18)19/h3-11,20H,1-2H3
InChIKeyMMLVDEWBRZLSFE-UHFFFAOYSA-N
XLogP4.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
4-bromo-N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000740
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate
CID 21239301
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
N-[6-chloro-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 19735304
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3791590) is 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is MMLVDEWBRZLSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-11(2)12-3-9-15(10-4-12)23(21,22)20-14-7-5-13(6-8-14)16(17,18)19/h3-11,20H,1-2H3.
What are the key properties of 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3791590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).