N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide

C13H8Cl2F3NO2S — CID 3827333

IUPACN-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8Cl2F3NO2S/c14-11-5-4-9(7-12(11)15)19-22(20,21)10-3-1-2-8(6-10)13(16,17)18/h1-7,19H
InChIKeyGUCZJPGELCXMPA-UHFFFAOYSA-N
MW370.18 g/mol
LogP4.81
Rot. Bonds3

About N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3827333) has the molecular formula C13H8Cl2F3NO2S and a molecular weight of 370.18 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3827333
Molecular FormulaC13H8Cl2F3NO2S
Molecular Weight370.18 g/mol
Exact Mass368.96
IUPAC NameN-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8Cl2F3NO2S/c14-11-5-4-9(7-12(11)15)19-22(20,21)10-3-1-2-8(6-10)13(16,17)18/h1-7,19H
InChIKeyGUCZJPGELCXMPA-UHFFFAOYSA-N
XLogP4.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.18
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175722965
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292
4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
CID 46763134
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 155962881

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 3827333) is N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GUCZJPGELCXMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO2S/c14-11-5-4-9(7-12(11)15)19-22(20,21)10-3-1-2-8(6-10)13(16,17)18/h1-7,19H.
What are the key properties of N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 370.18 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3827333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).