3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C17H17F3N2O4S2 — CID 166186395

IUPAC3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C17H17F3N2O4S2/c1-11-5-6-15(10-16(11)22-27(23,24)14-7-8-14)28(25,26)21-13-4-2-3-12(9-13)17(18,19)20/h2-6,9-10,14,21-22H,7-8H2,1H3
InChIKeyQSUGPPWGSASTKH-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.72
Rot. Bonds6

About 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 166186395) has the molecular formula C17H17F3N2O4S2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID166186395
Molecular FormulaC17H17F3N2O4S2
Molecular Weight434.46 g/mol
Exact Mass434.06
IUPAC Name3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C17H17F3N2O4S2/c1-11-5-6-15(10-16(11)22-27(23,24)14-7-8-14)28(25,26)21-13-4-2-3-12(9-13)17(18,19)20/h2-6,9-10,14,21-22H,7-8H2,1H3
InChIKeyQSUGPPWGSASTKH-UHFFFAOYSA-N
XLogP3.72
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(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

Related Compounds

1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 34064102
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60532916
N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 51573171
N-[(1S)-1-cyclopropylethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 9305504
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 166186395) is 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is QSUGPPWGSASTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S2/c1-11-5-6-15(10-16(11)22-27(23,24)14-7-8-14)28(25,26)21-13-4-2-3-12(9-13)17(18,19)20/h2-6,9-10,14,21-22H,7-8H2,1H3.
What are the key properties of 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 434.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166186395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).