N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C19H15F3N2O3S2 — CID 55490725

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O3S2/c1-12-4-7-15(11-16(12)19(20,21)22)23-18(25)13-5-8-14(9-6-13)24-29(26,27)17-3-2-10-28-17/h2-11,24H,1H3,(H,23,25)
InChIKeyDZIJSRHOHYHARN-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.13
Rot. Bonds5

About N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55490725) has the molecular formula C19H15F3N2O3S2 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55490725
Molecular FormulaC19H15F3N2O3S2
Molecular Weight440.47 g/mol
Exact Mass440.05
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O3S2/c1-12-4-7-15(11-16(12)19(20,21)22)23-18(25)13-5-8-14(9-6-13)24-29(26,27)17-3-2-10-28-17/h2-11,24H,1H3,(H,23,25)
InChIKeyDZIJSRHOHYHARN-UHFFFAOYSA-N
XLogP5.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2474123
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 33026888
N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 65484375
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24680132
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24648839
N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55347513
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 55490725) is N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is DZIJSRHOHYHARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S2/c1-12-4-7-15(11-16(12)19(20,21)22)23-18(25)13-5-8-14(9-6-13)24-29(26,27)17-3-2-10-28-17/h2-11,24H,1H3,(H,23,25).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 440.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55490725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).