N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide

C14H11ClF3NO4S2 — CID 25469886

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11ClF3NO4S2/c1-24(20,21)10-3-5-11(6-4-10)25(22,23)19-9-2-7-13(15)12(8-9)14(16,17)18/h2-8,19H,1H3
InChIKeyOSYMPKZGRVKDOD-UHFFFAOYSA-N
MW413.83 g/mol
LogP3.56
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide (PubChem CID 25469886) has the molecular formula C14H11ClF3NO4S2 and a molecular weight of 413.83 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
PubChem CID25469886
Molecular FormulaC14H11ClF3NO4S2
Molecular Weight413.83 g/mol
Exact Mass412.98
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11ClF3NO4S2/c1-24(20,21)10-3-5-11(6-4-10)25(22,23)19-9-2-7-13(15)12(8-9)14(16,17)18/h2-8,19H,1H3
InChIKeyOSYMPKZGRVKDOD-UHFFFAOYSA-N
XLogP3.56
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide 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]-4-ethylbenzenesulfonamide
CID 3775544
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 126128473
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956
4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 28634197
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004843
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-iodo-4-methylbenzamide
CID 100525126
4-chloro-N-(4-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038589
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911975
4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536176

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide (CID 25469886) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide?
The InChIKey is OSYMPKZGRVKDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO4S2/c1-24(20,21)10-3-5-11(6-4-10)25(22,23)19-9-2-7-13(15)12(8-9)14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide has a molecular weight of 413.83 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 25469886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).