N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide

C13H8Cl2F3NO2S — CID 112769183

IUPACN-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8Cl2F3NO2S/c14-10-2-1-3-11(15)12(10)19-22(20,21)9-6-4-8(5-7-9)13(16,17)18/h1-7,19H
InChIKeyCCFAQYXUFCHZSZ-UHFFFAOYSA-N
MW370.18 g/mol
LogP4.81
Rot. Bonds3

About N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 112769183) has the molecular formula C13H8Cl2F3NO2S and a molecular weight of 370.18 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID112769183
Molecular FormulaC13H8Cl2F3NO2S
Molecular Weight370.18 g/mol
Exact Mass368.96
IUPAC NameN-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8Cl2F3NO2S/c14-10-2-1-3-11(15)12(10)19-22(20,21)9-6-4-8(5-7-9)13(16,17)18/h1-7,19H
InChIKeyCCFAQYXUFCHZSZ-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

4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 58565728
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175722965
N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370068
N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
CID 24748525
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 103944025

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 112769183) is N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CCFAQYXUFCHZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO2S/c14-10-2-1-3-11(15)12(10)19-22(20,21)9-6-4-8(5-7-9)13(16,17)18/h1-7,19H.
What are the key properties of N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2,6-dichlorophenyl)-4-(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-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 112769183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).