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

C16H16F3NO2S — CID 3597122

IUPAC4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11(2)12-7-9-13(10-8-12)23(21,22)20-15-6-4-3-5-14(15)16(17,18)19/h3-11,20H,1-2H3
InChIKeyJKVUQGBQHDBUOP-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.63
Rot. Bonds4

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

4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3597122) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3597122
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11(2)12-7-9-13(10-8-12)23(21,22)20-15-6-4-3-5-14(15)16(17,18)19/h3-11,20H,1-2H3
InChIKeyJKVUQGBQHDBUOP-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-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline
CID 12503957
4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22201407
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875
2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 7574221
N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774369
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
methyl (Z)-3-[4-[[2-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoate
CID 97359671
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3597122) is 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is JKVUQGBQHDBUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-11(2)12-7-9-13(10-8-12)23(21,22)20-15-6-4-3-5-14(15)16(17,18)19/h3-11,20H,1-2H3.
What are the key properties of 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
4-propan-2-yl-N-[2-(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-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3597122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).