3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide

C17H14F3NO2S2 — CID 87199064

IUPAC3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
SMILESCc1c(N(CCF)S(=O)(=O)c2ccc(F)c(F)c2)sc2ccccc12
InChIInChI=1S/C17H14F3NO2S2/c1-11-13-4-2-3-5-16(13)24-17(11)21(9-8-18)25(22,23)12-6-7-14(19)15(20)10-12/h2-7,10H,8-9H2,1H3
InChIKeyKVCOLZAGOXBKFJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.65
Rot. Bonds5

About 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide

3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide (PubChem CID 87199064) has the molecular formula C17H14F3NO2S2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
PubChem CID87199064
Molecular FormulaC17H14F3NO2S2
Molecular Weight385.43 g/mol
Exact Mass385.04
IUPAC Name3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
SMILESCc1c(N(CCF)S(=O)(=O)c2ccc(F)c(F)c2)sc2ccccc12
InChIInChI=1S/C17H14F3NO2S2/c1-11-13-4-2-3-5-16(13)24-17(11)21(9-8-18)25(22,23)12-6-7-14(19)15(20)10-12/h2-7,10H,8-9H2,1H3
InChIKeyKVCOLZAGOXBKFJ-UHFFFAOYSA-N
XLogP4.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide 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

N-benzyl-3,4-difluoro-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
CID 90338808
4-[(3-methyl-1-benzothiophen-2-yl)-(4,4,4-trifluorobutyl)sulfamoyl]benzoic acid
CID 66907374
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-(3-methyl-1-benzothiophen-2-yl)sulfamoyl](11C)benzoic acid
CID 44621071
N-(3-methyl-1-benzothiophen-2-yl)-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-benzoxazole-6-sulfonamide
CID 66907971
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
CID 66907245
1,1,1-trifluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
CID 87198996
N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)-4-thiomorpholin-4-ylbenzenesulfonamide
CID 66906783
N-(3-methyl-1-benzothiophen-2-yl)-4-(5-oxo-1,2,4-oxadiazolidin-3-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 77215408
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 66906718
N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
CID 66907230
4-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-nitro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 59147925
2,2,2-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)-N-(5,5,5-trifluoropentyl)ethanesulfonamide
CID 87199073

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide (CID 87199064) is 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide is Cc1c(N(CCF)S(=O)(=O)c2ccc(F)c(F)c2)sc2ccccc12.
What is the InChIKey of 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
The InChIKey is KVCOLZAGOXBKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2S2/c1-11-13-4-2-3-5-16(13)24-17(11)21(9-8-18)25(22,23)12-6-7-14(19)15(20)10-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide has a molecular weight of 385.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide is sourced from PubChem (CID 87199064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).