3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide

C6H5BrN2O2S2 — CID 61458188

IUPAC3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
SMILESN#CCNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C6H5BrN2O2S2/c7-5-1-4-12-6(5)13(10,11)9-3-2-8/h1,4,9H,3H2
InChIKeyKMCGSFHYMMQZES-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.31
Rot. Bonds3

About 3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide

3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide (PubChem CID 61458188) has the molecular formula C6H5BrN2O2S2 and a molecular weight of 281.16 g/mol. Its IUPAC name is 3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
PubChem CID61458188
Molecular FormulaC6H5BrN2O2S2
Molecular Weight281.16 g/mol
Exact Mass279.90
IUPAC Name3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
SMILESN#CCNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C6H5BrN2O2S2/c7-5-1-4-12-6(5)13(10,11)9-3-2-8/h1,4,9H,3H2
InChIKeyKMCGSFHYMMQZES-UHFFFAOYSA-N
XLogP1.31
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422
2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
CID 61457900
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
3-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 61073302
3-bromo-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
CID 114164898
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113225778
3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121729
3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 113400598
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677
3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 55136740

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide (CID 61458188) is 3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide is N#CCNS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide?
The InChIKey is KMCGSFHYMMQZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O2S2/c7-5-1-4-12-6(5)13(10,11)9-3-2-8/h1,4,9H,3H2.
What are the key properties of 3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide?
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide has a molecular weight of 281.16 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61458188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).