3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide

C10H13BrN2O2S2 — CID 54947873

IUPAC3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H13BrN2O2S2/c1-3-10(4-2,7-12)13-17(14,15)9-8(11)5-6-16-9/h5-6,13H,3-4H2,1-2H3
InChIKeyGOVOAXJOQUVLKM-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.87
Rot. Bonds5

About 3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide

3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide (PubChem CID 54947873) has the molecular formula C10H13BrN2O2S2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide
PubChem CID54947873
Molecular FormulaC10H13BrN2O2S2
Molecular Weight337.26 g/mol
Exact Mass335.96
IUPAC Name3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H13BrN2O2S2/c1-3-10(4-2,7-12)13-17(14,15)9-8(11)5-6-16-9/h5-6,13H,3-4H2,1-2H3
InChIKeyGOVOAXJOQUVLKM-UHFFFAOYSA-N
XLogP2.87
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide (CID 54947873) is 3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide is CCC(C#N)(CC)NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide?
The InChIKey is GOVOAXJOQUVLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S2/c1-3-10(4-2,7-12)13-17(14,15)9-8(11)5-6-16-9/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide?
3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide has a molecular weight of 337.26 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-cyanopentan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 54947873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).