2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C13H8Cl2F3NO2S — CID 2107587

IUPAC2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2F3NO2S/c14-10-5-2-6-11(12(10)15)22(20,21)19-9-4-1-3-8(7-9)13(16,17)18/h1-7,19H
InChIKeyVLJAPHOLSLZJCF-UHFFFAOYSA-N
MW370.18 g/mol
LogP4.81
Rot. Bonds3

About 2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2107587) has the molecular formula C13H8Cl2F3NO2S and a molecular weight of 370.18 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2107587
Molecular FormulaC13H8Cl2F3NO2S
Molecular Weight370.18 g/mol
Exact Mass368.96
IUPAC Name2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2F3NO2S/c14-10-5-2-6-11(12(10)15)22(20,21)19-9-4-1-3-8(7-9)13(16,17)18/h1-7,19H
InChIKeyVLJAPHOLSLZJCF-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

2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092160
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3709253
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
CID 106057279
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2107587) is 2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is VLJAPHOLSLZJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO2S/c14-10-5-2-6-11(12(10)15)22(20,21)19-9-4-1-3-8(7-9)13(16,17)18/h1-7,19H.
What are the key properties of 2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
2,3-dichloro-N-[3-(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 2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2107587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).