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

C11H6BrFN2O2S2 — CID 61458187

IUPAC3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
SMILESN#Cc1c(F)cccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H6BrFN2O2S2/c12-8-4-5-18-11(8)19(16,17)15-10-3-1-2-9(13)7(10)6-14/h1-5,15H
InChIKeySGLWXAKEYFQXBO-UHFFFAOYSA-N
MW361.22 g/mol
LogP3.32
Rot. Bonds3

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

3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide (PubChem CID 61458187) has the molecular formula C11H6BrFN2O2S2 and a molecular weight of 361.22 g/mol. Its IUPAC name is 3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
PubChem CID61458187
Molecular FormulaC11H6BrFN2O2S2
Molecular Weight361.22 g/mol
Exact Mass359.90
IUPAC Name3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
SMILESN#Cc1c(F)cccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H6BrFN2O2S2/c12-8-4-5-18-11(8)19(16,17)15-10-3-1-2-9(13)7(10)6-14/h1-5,15H
InChIKeySGLWXAKEYFQXBO-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

3-bromo-N-(2-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 82016117
3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81495157
4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 60823914
3-amino-4-bromo-N-(2-cyano-3-fluorophenyl)benzenesulfonamide
CID 115328819
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60985038
2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814262
4-amino-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61299391
3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
CID 64793855
N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 43580569
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423
N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide
CID 64894470

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide (CID 61458187) is 3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide is N#Cc1c(F)cccc1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide?
The InChIKey is SGLWXAKEYFQXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O2S2/c12-8-4-5-18-11(8)19(16,17)15-10-3-1-2-9(13)7(10)6-14/h1-5,15H.
What are the key properties of 3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide?
3-bromo-N-(2-cyano-3-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 3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61458187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).