4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C19H14ClF3N2O4S2 — CID 2730924

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF3N2O4S2/c20-13-5-9-15(10-6-13)30(26,27)24-14-7-11-16(12-8-14)31(28,29)25-18-4-2-1-3-17(18)19(21,22)23/h1-12,24-25H
InChIKeyADHPCFQYADEILV-UHFFFAOYSA-N
MW490.91 g/mol
LogP4.96
Rot. Bonds6

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

4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2730924) has the molecular formula C19H14ClF3N2O4S2 and a molecular weight of 490.91 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2730924
Molecular FormulaC19H14ClF3N2O4S2
Molecular Weight490.91 g/mol
Exact Mass490.00
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF3N2O4S2/c20-13-5-9-15(10-6-13)30(26,27)24-14-7-11-16(12-8-14)31(28,29)25-18-4-2-1-3-17(18)19(21,22)23/h1-12,24-25H
InChIKeyADHPCFQYADEILV-UHFFFAOYSA-N
XLogP4.96
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.91
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2730924) is 4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is ADHPCFQYADEILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O4S2/c20-13-5-9-15(10-6-13)30(26,27)24-14-7-11-16(12-8-14)31(28,29)25-18-4-2-1-3-17(18)19(21,22)23/h1-12,24-25H.
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 490.91 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2730924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).