4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C16H16F3NO2S — CID 3860471

IUPAC4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11(2)12-6-8-15(9-7-12)23(21,22)20-14-5-3-4-13(10-14)16(17,18)19/h3-11,20H,1-2H3
InChIKeyHNJMQVNBOKGSDE-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.63
Rot. Bonds4

About 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3860471) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3860471
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11(2)12-6-8-15(9-7-12)23(21,22)20-14-5-3-4-13(10-14)16(17,18)19/h3-11,20H,1-2H3
InChIKeyHNJMQVNBOKGSDE-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-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide
CID 143133265
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43880179
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
1-[[4-(sulfinatoamino)phenyl]sulfonylamino]-3-(trifluoromethyl)benzene
CID 162773483
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3860471) is 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is HNJMQVNBOKGSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-11(2)12-6-8-15(9-7-12)23(21,22)20-14-5-3-4-13(10-14)16(17,18)19/h3-11,20H,1-2H3.
What are the key properties of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-propan-2-yl-N-[3-(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-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3860471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).