N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide

C15H11ClF3NO3S — CID 1304977

IUPACN-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11ClF3NO3S/c1-9(21)10-3-2-4-11(7-10)20-24(22,23)12-5-6-14(16)13(8-12)15(17,18)19/h2-8,20H,1H3
InChIKeyGCWNYJJYGYOHGT-UHFFFAOYSA-N
MW377.77 g/mol
LogP4.36
Rot. Bonds4

About N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide

N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 1304977) has the molecular formula C15H11ClF3NO3S and a molecular weight of 377.77 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID1304977
Molecular FormulaC15H11ClF3NO3S
Molecular Weight377.77 g/mol
Exact Mass377.01
IUPAC NameN-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11ClF3NO3S/c1-9(21)10-3-2-4-11(7-10)20-24(22,23)12-5-6-14(16)13(8-12)15(17,18)19/h2-8,20H,1H3
InChIKeyGCWNYJJYGYOHGT-UHFFFAOYSA-N
XLogP4.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.77
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-Chloro-benzenesulfonylamino)-phenyl]-2-oxoethyl ethyl trithiocarbonate
CID 24895006
N-(2-acetylphenyl)-2-chlorobenzenesulfonamide
CID 2767178
3-[[3-(Trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25694624
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(methylsulfamoyl)benzamide
CID 25700430
N-(3-acetylphenyl)-4-chlorobenzenesulfonamide
CID 307391
N-(3-acetylphenyl)benzenesulfonamide
CID 738634
N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 2742130
4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 1375859
N-(4-acetylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 741647
N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 889919
N-(3-acetylphenyl)-4-fluorobenzenesulfonamide
CID 895543
N-(3-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2188875

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide (CID 1304977) is N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GCWNYJJYGYOHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3S/c1-9(21)10-3-2-4-11(7-10)20-24(22,23)12-5-6-14(16)13(8-12)15(17,18)19/h2-8,20H,1H3.
What are the key properties of N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 377.77 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 1304977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).