5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide

C9H12BrNO2S2 — CID 115692248

IUPAC5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
SMILESC=CC(C)NS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C9H12BrNO2S2/c1-4-7(3)11-15(12,13)8-5-6(2)9(10)14-8/h4-5,7,11H,1H2,2-3H3
InChIKeyRLOLWKCDASWQHB-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.67
Rot. Bonds4

About 5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide

5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide (PubChem CID 115692248) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
PubChem CID115692248
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC Name5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
SMILESC=CC(C)NS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C9H12BrNO2S2/c1-4-7(3)11-15(12,13)8-5-6(2)9(10)14-8/h4-5,7,11H,1H2,2-3H3
InChIKeyRLOLWKCDASWQHB-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanoate
CID 79988235
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide
CID 113271709
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79998802
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide
CID 79987384
2,5-dibromo-N-but-3-en-2-yl-4-methylbenzenesulfonamide
CID 115698660
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
CID 79987550
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide (CID 115692248) is 5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide is C=CC(C)NS(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide?
The InChIKey is RLOLWKCDASWQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c1-4-7(3)11-15(12,13)8-5-6(2)9(10)14-8/h4-5,7,11H,1H2,2-3H3.
What are the key properties of 5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide?
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide has a molecular weight of 310.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 115692248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).