N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide

C14H12F3NO4S2 — CID 8842839

IUPACN-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H12F3NO4S2/c1-23(19,20)13-4-2-3-11(9-13)18-24(21,22)12-7-5-10(6-8-12)14(15,16)17/h2-9,18H,1H3
InChIKeyJFPGBHMCCRVQFX-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.91
Rot. Bonds4

About N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 8842839) has the molecular formula C14H12F3NO4S2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID8842839
Molecular FormulaC14H12F3NO4S2
Molecular Weight379.38 g/mol
Exact Mass379.02
IUPAC NameN-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H12F3NO4S2/c1-23(19,20)13-4-2-3-11(9-13)18-24(21,22)12-7-5-10(6-8-12)14(15,16)17/h2-9,18H,1H3
InChIKeyJFPGBHMCCRVQFX-UHFFFAOYSA-N
XLogP2.91
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide 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-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18569043
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
CID 18286126
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
5-[(3-methylsulfonylphenyl)sulfonylamino]benzene-1,3-disulfonate
CID 176777217
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 8842839) is N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide is CS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JFPGBHMCCRVQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4S2/c1-23(19,20)13-4-2-3-11(9-13)18-24(21,22)12-7-5-10(6-8-12)14(15,16)17/h2-9,18H,1H3.
What are the key properties of N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 379.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 8842839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).