N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide

C20H18F3NO4S3 — CID 2438613

IUPACN-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cccs2)c(C)c1
InChIInChI=1S/C20H18F3NO4S3/c1-13-10-14(2)19(15(3)11-13)31(27,28)24(30(25,26)18-8-5-9-29-18)17-7-4-6-16(12-17)20(21,22)23/h4-12H,1-3H3
InChIKeyCHPZTQALECVUBC-UHFFFAOYSA-N
MW489.56 g/mol
LogP5.28
Rot. Bonds5

About N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide

N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide (PubChem CID 2438613) has the molecular formula C20H18F3NO4S3 and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide
PubChem CID2438613
Molecular FormulaC20H18F3NO4S3
Molecular Weight489.56 g/mol
Exact Mass489.04
IUPAC NameN-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cccs2)c(C)c1
InChIInChI=1S/C20H18F3NO4S3/c1-13-10-14(2)19(15(3)11-13)31(27,28)24(30(25,26)18-8-5-9-29-18)17-7-4-6-16(12-17)20(21,22)23/h4-12H,1-3H3
InChIKeyCHPZTQALECVUBC-UHFFFAOYSA-N
XLogP5.28
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]methyl]furan-2-carboxylate
CID 2106319
N-ethyl-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 100550599
N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 2342115
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide
CID 4125754
N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 55747131
N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 100551054
N-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 102120901
2-[3-[4-[[[3-(trifluoromethyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]phenyl]acetic acid
CID 146498758
N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide
CID 142053557
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27036482
ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100550650
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 31010892

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide (CID 2438613) is N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide is Cc1cc(C)c(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cccs2)c(C)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide?
The InChIKey is CHPZTQALECVUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO4S3/c1-13-10-14(2)19(15(3)11-13)31(27,28)24(30(25,26)18-8-5-9-29-18)17-7-4-6-16(12-17)20(21,22)23/h4-12H,1-3H3.
What are the key properties of N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide?
N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide has a molecular weight of 489.56 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 2438613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).