5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide

C12H15BrN2O2S2 — CID 79987800

IUPAC5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2(C#N)CCCCC2)sc1Br
InChIInChI=1S/C12H15BrN2O2S2/c1-9-7-10(18-11(9)13)19(16,17)15-12(8-14)5-3-2-4-6-12/h7,15H,2-6H2,1H3
InChIKeyGDCAOKNDGPQFPD-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.32
Rot. Bonds3

About 5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide (PubChem CID 79987800) has the molecular formula C12H15BrN2O2S2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
PubChem CID79987800
Molecular FormulaC12H15BrN2O2S2
Molecular Weight363.30 g/mol
Exact Mass361.98
IUPAC Name5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2(C#N)CCCCC2)sc1Br
InChIInChI=1S/C12H15BrN2O2S2/c1-9-7-10(18-11(9)13)19(16,17)15-12(8-14)5-3-2-4-6-12/h7,15H,2-6H2,1H3
InChIKeyGDCAOKNDGPQFPD-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 ≤ 500363.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide (CID 79987800) is 5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2(C#N)CCCCC2)sc1Br.
What is the InChIKey of 5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is GDCAOKNDGPQFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S2/c1-9-7-10(18-11(9)13)19(16,17)15-12(8-14)5-3-2-4-6-12/h7,15H,2-6H2,1H3.
What are the key properties of 5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 363.30 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-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79987800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).