3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C15H12F3NO3S — CID 26970291

IUPAC3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NO3S/c1-10(20)11-3-2-4-14(9-11)23(21,22)19-13-7-5-12(6-8-13)15(16,17)18/h2-9,19H,1H3
InChIKeyNSLOSJJQMJVQJS-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.71
Rot. Bonds4

About 3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 26970291) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is 3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID26970291
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NO3S/c1-10(20)11-3-2-4-14(9-11)23(21,22)19-13-7-5-12(6-8-13)15(16,17)18/h2-9,19H,1H3
InChIKeyNSLOSJJQMJVQJS-UHFFFAOYSA-N
XLogP3.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 112838614
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
3-acetyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]benzenesulfonamide
CID 2449996
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965624
methyl (E)-3-[3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoate
CID 155135938
3-[[4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]sulfamoyl]benzoic acid
CID 58937165
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 26970291) is 3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is NSLOSJJQMJVQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c1-10(20)11-3-2-4-14(9-11)23(21,22)19-13-7-5-12(6-8-13)15(16,17)18/h2-9,19H,1H3.
What are the key properties of 3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 343.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 26970291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).