N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide

C17H10F4N2O3S2 — CID 70120169

IUPACN-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1sccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H10F4N2O3S2/c18-9-5-10(19)7-11(6-9)22-17(24)16-15(3-4-27-16)23-28(25,26)12-1-2-13(20)14(21)8-12/h1-8,23H,(H,22,24)
InChIKeyLMGCAKKZRPMXLZ-UHFFFAOYSA-N
MW430.40 g/mol
LogP4.36
Rot. Bonds5

About N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide

N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide (PubChem CID 70120169) has the molecular formula C17H10F4N2O3S2 and a molecular weight of 430.40 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide
PubChem CID70120169
Molecular FormulaC17H10F4N2O3S2
Molecular Weight430.40 g/mol
Exact Mass430.01
IUPAC NameN-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1sccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H10F4N2O3S2/c18-9-5-10(19)7-11(6-9)22-17(24)16-15(3-4-27-16)23-28(25,26)12-1-2-13(20)14(21)8-12/h1-8,23H,(H,22,24)
InChIKeyLMGCAKKZRPMXLZ-UHFFFAOYSA-N
XLogP4.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 70120787
N-(4-chlorophenyl)-3-[(3-chlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120101
N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
CID 10161709
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide
CID 55376849
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 10136677
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide (CID 70120169) is N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1sccc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide?
The InChIKey is LMGCAKKZRPMXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O3S2/c18-9-5-10(19)7-11(6-9)22-17(24)16-15(3-4-27-16)23-28(25,26)12-1-2-13(20)14(21)8-12/h1-8,23H,(H,22,24).
What are the key properties of N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide?
N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 70120169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).