3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

C18H11F5N2O4S2 — CID 70120787

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1sccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H11F5N2O4S2/c19-13-5-4-12(9-14(13)20)31(27,28)25-15-6-7-30-16(15)17(26)24-10-2-1-3-11(8-10)29-18(21,22)23/h1-9,25H,(H,24,26)
InChIKeyOTBOFBWIQYKPAH-UHFFFAOYSA-N
MW478.42 g/mol
LogP4.98
Rot. Bonds6

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 70120787) has the molecular formula C18H11F5N2O4S2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID70120787
Molecular FormulaC18H11F5N2O4S2
Molecular Weight478.42 g/mol
Exact Mass478.01
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1sccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H11F5N2O4S2/c19-13-5-4-12(9-14(13)20)31(27,28)25-15-6-7-30-16(15)17(26)24-10-2-1-3-11(8-10)29-18(21,22)23/h1-9,25H,(H,24,26)
InChIKeyOTBOFBWIQYKPAH-UHFFFAOYSA-N
XLogP4.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120169
N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
CID 10161709
N-(4-chlorophenyl)-3-[(3-chlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120101
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84555350
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55526457
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38259281

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (CID 70120787) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1sccc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is OTBOFBWIQYKPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N2O4S2/c19-13-5-4-12(9-14(13)20)31(27,28)25-15-6-7-30-16(15)17(26)24-10-2-1-3-11(8-10)29-18(21,22)23/h1-9,25H,(H,24,26).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 478.42 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 70120787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).