2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide

C14H9Cl3F3NO3S — CID 126190415

IUPAC2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1Cl
InChIInChI=1S/C14H9Cl3F3NO3S/c1-24-10-4-5-11(13(17)12(10)16)25(22,23)21-7-2-3-9(15)8(6-7)14(18,19)20/h2-6,21H,1H3
InChIKeyXJGHPDATNUXYPI-UHFFFAOYSA-N
MW434.65 g/mol
LogP5.47
Rot. Bonds4

About 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide

2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 126190415) has the molecular formula C14H9Cl3F3NO3S and a molecular weight of 434.65 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID126190415
Molecular FormulaC14H9Cl3F3NO3S
Molecular Weight434.65 g/mol
Exact Mass432.93
IUPAC Name2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1Cl
InChIInChI=1S/C14H9Cl3F3NO3S/c1-24-10-4-5-11(13(17)12(10)16)25(22,23)21-7-2-3-9(15)8(6-7)14(18,19)20/h2-6,21H,1H3
InChIKeyXJGHPDATNUXYPI-UHFFFAOYSA-N
XLogP5.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.65
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 1295813
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 27658187
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100666453
2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3778972
4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 36513836
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911975
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 1006648
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide (CID 126190415) is 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is XJGHPDATNUXYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F3NO3S/c1-24-10-4-5-11(13(17)12(10)16)25(22,23)21-7-2-3-9(15)8(6-7)14(18,19)20/h2-6,21H,1H3.
What are the key properties of 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 434.65 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 126190415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).