4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide

C16H16F3NO2S — CID 75458388

IUPAC4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-12-8-10-14(11-9-12)23(21,22)20-15(2,16(17,18)19)13-6-4-3-5-7-13/h3-11,20H,1-2H3
InChIKeyHQFPFUMQPWAOAH-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.75
Rot. Bonds4

About 4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide

4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 75458388) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
PubChem CID75458388
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-12-8-10-14(11-9-12)23(21,22)20-15(2,16(17,18)19)13-6-4-3-5-7-13/h3-11,20H,1-2H3
InChIKeyHQFPFUMQPWAOAH-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102049077
4-methyl-N-(1-nitro-2-phenylpropan-2-yl)benzenesulfonamide
CID 135011413
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide
CID 102294028
(1,1,1-trifluoro-2-phenylpropan-2-yl) 4-methylbenzenesulfonate
CID 19700284
4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
CID 101403953
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 110440972
N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 15709124
N-(1-cyano-1-phenylbutyl)-4-methylbenzenesulfonamide
CID 135070539
N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide
CID 15852324
N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
CID 25037551

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide (CID 75458388) is 4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is HQFPFUMQPWAOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-12-8-10-14(11-9-12)23(21,22)20-15(2,16(17,18)19)13-6-4-3-5-7-13/h3-11,20H,1-2H3.
What are the key properties of 4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide?
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 75458388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).