5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide

C9H10BrClN2O2S2 — CID 80577530

IUPAC5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)C(C#N)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H10BrClN2O2S2/c1-5(2)7(4-12)13-17(14,15)8-3-6(11)9(10)16-8/h3,5,7,13H,1-2H3
InChIKeyNSLKOAUZOACFAU-UHFFFAOYSA-N
MW357.68 g/mol
LogP2.99
Rot. Bonds4

About 5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 80577530) has the molecular formula C9H10BrClN2O2S2 and a molecular weight of 357.68 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide
PubChem CID80577530
Molecular FormulaC9H10BrClN2O2S2
Molecular Weight357.68 g/mol
Exact Mass355.91
IUPAC Name5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)C(C#N)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H10BrClN2O2S2/c1-5(2)7(4-12)13-17(14,15)8-3-6(11)9(10)16-8/h3,5,7,13H,1-2H3
InChIKeyNSLKOAUZOACFAU-UHFFFAOYSA-N
XLogP2.99
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide (CID 80577530) is 5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide is CC(C)C(C#N)NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is NSLKOAUZOACFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O2S2/c1-5(2)7(4-12)13-17(14,15)8-3-6(11)9(10)16-8/h3,5,7,13H,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 357.68 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80577530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).