5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide

C8H10BrNO2S2 — CID 79925847

IUPAC5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C8H10BrNO2S2/c1-3-4-10-14(11,12)7-5-6(2)8(9)13-7/h3,5,10H,1,4H2,2H3
InChIKeySYUDYWIPQCKBME-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.28
Rot. Bonds4

About 5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide

5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide (PubChem CID 79925847) has the molecular formula C8H10BrNO2S2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
PubChem CID79925847
Molecular FormulaC8H10BrNO2S2
Molecular Weight296.21 g/mol
Exact Mass294.93
IUPAC Name5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C8H10BrNO2S2/c1-3-4-10-14(11,12)7-5-6(2)8(9)13-7/h3,5,10H,1,4H2,2H3
InChIKeySYUDYWIPQCKBME-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.28
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-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
CID 115692248
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643
5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
CID 79987385
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 79987387
4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 25252496
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 107232063
5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide
CID 107158081
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
N-[2-(4-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987465

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide (CID 79925847) is 5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide is C=CCNS(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide?
The InChIKey is SYUDYWIPQCKBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S2/c1-3-4-10-14(11,12)7-5-6(2)8(9)13-7/h3,5,10H,1,4H2,2H3.
What are the key properties of 5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide?
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide has a molecular weight of 296.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide is sourced from PubChem (CID 79925847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).