4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide

C15H17F3N2O2S2 — CID 133340008

IUPAC4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(CC(C)Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)s1
InChIInChI=1S/C15H17F3N2O2S2/c1-9(7-12-5-3-10(2)23-12)20-11-4-6-14(24(19,21)22)13(8-11)15(16,17)18/h3-6,8-9,20H,7H2,1-2H3,(H2,19,21,22)
InChIKeyWRJPSFXTORITII-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.77
Rot. Bonds5

About 4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide

4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133340008) has the molecular formula C15H17F3N2O2S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133340008
Molecular FormulaC15H17F3N2O2S2
Molecular Weight378.44 g/mol
Exact Mass378.07
IUPAC Name4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(CC(C)Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)s1
InChIInChI=1S/C15H17F3N2O2S2/c1-9(7-12-5-3-10(2)23-12)20-11-4-6-14(24(19,21)22)13(8-11)15(16,17)18/h3-6,8-9,20H,7H2,1-2H3,(H2,19,21,22)
InChIKeyWRJPSFXTORITII-UHFFFAOYSA-N
XLogP3.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 133339931
(2S)-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanoic acid
CID 122049439
N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide
CID 133339349
4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 133329434
4-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339413
4-[1-(4-propan-2-ylsulfanylphenyl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133329341
4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340231
4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340002
4-bromo-N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 64628921
5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
CID 107874721
5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine
CID 112695253
4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339090

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide (CID 133340008) is 4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide is Cc1ccc(CC(C)Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)s1.
What is the InChIKey of 4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WRJPSFXTORITII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2S2/c1-9(7-12-5-3-10(2)23-12)20-11-4-6-14(24(19,21)22)13(8-11)15(16,17)18/h3-6,8-9,20H,7H2,1-2H3,(H2,19,21,22).
What are the key properties of 4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide?
4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 378.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133340008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).