N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide

C22H14F4N2O3S2 — CID 170943949

IUPACN-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccccc2F)c1)c1cc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C22H14F4N2O3S2/c23-17-6-1-2-7-20(17)33(30,31)28-16-5-3-4-15(12-16)27-21(29)19-11-13-10-14(22(24,25)26)8-9-18(13)32-19/h1-12,28H,(H,27,29)
InChIKeyHKUQEQUMEXHGMV-UHFFFAOYSA-N
MW494.49 g/mol
LogP6.11
Rot. Bonds5

About N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide

N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide (PubChem CID 170943949) has the molecular formula C22H14F4N2O3S2 and a molecular weight of 494.49 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
PubChem CID170943949
Molecular FormulaC22H14F4N2O3S2
Molecular Weight494.49 g/mol
Exact Mass494.04
IUPAC NameN-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccccc2F)c1)c1cc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C22H14F4N2O3S2/c23-17-6-1-2-7-20(17)33(30,31)28-16-5-3-4-15(12-16)27-21(29)19-11-13-10-14(22(24,25)26)8-9-18(13)32-19/h1-12,28H,(H,27,29)
InChIKeyHKUQEQUMEXHGMV-UHFFFAOYSA-N
XLogP6.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.49
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide 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

2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
N-[2-[(3-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 170943917
5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 50810605
N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 90142340
2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169308185
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55379359
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 52638821
2-fluoro-N-[3-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3867857
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30664998

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide (CID 170943949) is N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(NS(=O)(=O)c2ccccc2F)c1)c1cc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is HKUQEQUMEXHGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N2O3S2/c23-17-6-1-2-7-20(17)33(30,31)28-16-5-3-4-15(12-16)27-21(29)19-11-13-10-14(22(24,25)26)8-9-18(13)32-19/h1-12,28H,(H,27,29).
What are the key properties of N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 494.49 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 170943949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).