3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide

C11H13BrN2O2S2 — CID 54947872

IUPAC3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2sccc2Br)CCCCC1
InChIInChI=1S/C11H13BrN2O2S2/c12-9-4-7-17-10(9)18(15,16)14-11(8-13)5-2-1-3-6-11/h4,7,14H,1-3,5-6H2
InChIKeyOQBWHTRKEHKANA-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.02
Rot. Bonds3

About 3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide

3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide (PubChem CID 54947872) has the molecular formula C11H13BrN2O2S2 and a molecular weight of 349.28 g/mol. Its IUPAC name is 3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide
PubChem CID54947872
Molecular FormulaC11H13BrN2O2S2
Molecular Weight349.28 g/mol
Exact Mass347.96
IUPAC Name3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2sccc2Br)CCCCC1
InChIInChI=1S/C11H13BrN2O2S2/c12-9-4-7-17-10(9)18(15,16)14-11(8-13)5-2-1-3-6-11/h4,7,14H,1-3,5-6H2
InChIKeyOQBWHTRKEHKANA-UHFFFAOYSA-N
XLogP3.02
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide (CID 54947872) is 3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide is N#CC1(NS(=O)(=O)c2sccc2Br)CCCCC1.
What is the InChIKey of 3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide?
The InChIKey is OQBWHTRKEHKANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S2/c12-9-4-7-17-10(9)18(15,16)14-11(8-13)5-2-1-3-6-11/h4,7,14H,1-3,5-6H2.
What are the key properties of 3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide?
3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide has a molecular weight of 349.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyanocyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 54947872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).