2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide

C13H8Cl2F3NO2S — CID 139601759

IUPAC2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C13H8Cl2F3NO2S/c14-9-3-1-2-4-12(9)22(20,21)19-11-6-5-8(7-10(11)15)13(16,17)18/h1-7,19H
InChIKeyNCWSYSKAWNIXRK-UHFFFAOYSA-N
MW370.18 g/mol
LogP4.81
Rot. Bonds3

About 2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide

2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 139601759) has the molecular formula C13H8Cl2F3NO2S and a molecular weight of 370.18 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID139601759
Molecular FormulaC13H8Cl2F3NO2S
Molecular Weight370.18 g/mol
Exact Mass368.96
IUPAC Name2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C13H8Cl2F3NO2S/c14-9-3-1-2-4-12(9)22(20,21)19-11-6-5-8(7-10(11)15)13(16,17)18/h1-7,19H
InChIKeyNCWSYSKAWNIXRK-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 139601759) is 2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is NCWSYSKAWNIXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO2S/c14-9-3-1-2-4-12(9)22(20,21)19-11-6-5-8(7-10(11)15)13(16,17)18/h1-7,19H.
What are the key properties of 2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]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 2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 139601759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).