4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide

C16H14F3NO2S — CID 102415816

IUPAC4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C(F)=C(F)F)c2ccccc2)cc1
InChIInChI=1S/C16H14F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-15(14(17)16(18)19)12-5-3-2-4-6-12/h2-10,15,20H,1H3
InChIKeyIFSRTTFWVHHKGN-UHFFFAOYSA-N
MW341.35 g/mol
LogP4.09
Rot. Bonds5

About 4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide

4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide (PubChem CID 102415816) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is 4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide
PubChem CID102415816
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C(F)=C(F)F)c2ccccc2)cc1
InChIInChI=1S/C16H14F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-15(14(17)16(18)19)12-5-3-2-4-6-12/h2-10,15,20H,1H3
InChIKeyIFSRTTFWVHHKGN-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 10840704
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 14352064
ethylsulfanyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67587191
(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide
CID 102010985
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
ethyl 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 11089671
ethyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 13360721
N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 26599279
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide (CID 102415816) is 4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C(F)=C(F)F)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide?
The InChIKey is IFSRTTFWVHHKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-15(14(17)16(18)19)12-5-3-2-4-6-12/h2-10,15,20H,1H3.
What are the key properties of 4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide?
4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide has a molecular weight of 341.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 102415816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).