5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide

C11H6BrFN2O2S2 — CID 62317032

IUPAC5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccc(Br)s2)ccc1F
InChIInChI=1S/C11H6BrFN2O2S2/c12-10-3-4-11(18-10)19(16,17)15-8-1-2-9(13)7(5-8)6-14/h1-5,15H
InChIKeyXLJPCDFBLRFVJU-UHFFFAOYSA-N
MW361.22 g/mol
LogP3.32
Rot. Bonds3

About 5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide

5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide (PubChem CID 62317032) has the molecular formula C11H6BrFN2O2S2 and a molecular weight of 361.22 g/mol. Its IUPAC name is 5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide
PubChem CID62317032
Molecular FormulaC11H6BrFN2O2S2
Molecular Weight361.22 g/mol
Exact Mass359.90
IUPAC Name5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccc(Br)s2)ccc1F
InChIInChI=1S/C11H6BrFN2O2S2/c12-10-3-4-11(18-10)19(16,17)15-8-1-2-9(13)7(5-8)6-14/h1-5,15H
InChIKeyXLJPCDFBLRFVJU-UHFFFAOYSA-N
XLogP3.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
5-bromo-N-(3-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64782203
5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 62316181
1-bromo-N-(3-cyano-4-fluorophenyl)methanesulfonamide
CID 83093556
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62317403
N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide
CID 62315969
5-bromo-N-(4-bromo-2,6-difluorophenyl)thiophene-2-sulfonamide
CID 65499829
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide
CID 60580032

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide (CID 62317032) is 5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide is N#Cc1cc(NS(=O)(=O)c2ccc(Br)s2)ccc1F.
What is the InChIKey of 5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide?
The InChIKey is XLJPCDFBLRFVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O2S2/c12-10-3-4-11(18-10)19(16,17)15-8-1-2-9(13)7(5-8)6-14/h1-5,15H.
What are the key properties of 5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide?
5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide has a molecular weight of 361.22 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 62317032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).