N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide

C17H15F5N2O4S2 — CID 121295235

IUPACN-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide
SMILESCc1sc(S(=O)(=O)NC2(C(F)(F)F)CCOC2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H15F5N2O4S2/c1-9-11(15(25)23-10-2-3-12(18)13(19)6-10)7-14(29-9)30(26,27)24-16(17(20,21)22)4-5-28-8-16/h2-3,6-7,24H,4-5,8H2,1H3,(H,23,25)
InChIKeyKKJOCTFFVGHDHN-UHFFFAOYSA-N
MW470.44 g/mol
LogP3.59
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide

N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide (PubChem CID 121295235) has the molecular formula C17H15F5N2O4S2 and a molecular weight of 470.44 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide
PubChem CID121295235
Molecular FormulaC17H15F5N2O4S2
Molecular Weight470.44 g/mol
Exact Mass470.04
IUPAC NameN-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide
SMILESCc1sc(S(=O)(=O)NC2(C(F)(F)F)CCOC2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H15F5N2O4S2/c1-9-11(15(25)23-10-2-3-12(18)13(19)6-10)7-14(29-9)30(26,27)24-16(17(20,21)22)4-5-28-8-16/h2-3,6-7,24H,4-5,8H2,1H3,(H,23,25)
InChIKeyKKJOCTFFVGHDHN-UHFFFAOYSA-N
XLogP3.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-difluorophenyl)carbamoyl]-5-methylthiophene-2-sulfinic acid
CID 135283853
2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide
CID 86770880
N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide
CID 121295225
N-(3-chloro-4-fluorophenyl)-2-methyl-5-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]thiophene-3-carboxamide
CID 164792399
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 135292739
5-bromo-N-(3,4-difluorophenyl)-2-fluoro-6-methyl-3-(5-oxaspiro[2.4]heptan-2-ylsulfamoyl)benzamide
CID 149370828
N-(3,4-difluorophenyl)-2-fluoro-5-[1-(oxolan-3-yl)ethylsulfamoyl]benzamide
CID 123140267
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057
N-(3,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
CID 4115341
5-[(1-cyclopropyl-2,2,2-trifluoroethyl)sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90259055
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide (CID 121295235) is N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide is Cc1sc(S(=O)(=O)NC2(C(F)(F)F)CCOC2)cc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide?
The InChIKey is KKJOCTFFVGHDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O4S2/c1-9-11(15(25)23-10-2-3-12(18)13(19)6-10)7-14(29-9)30(26,27)24-16(17(20,21)22)4-5-28-8-16/h2-3,6-7,24H,4-5,8H2,1H3,(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide?
N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide has a molecular weight of 470.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide is sourced from PubChem (CID 121295235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).