2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide

C10H12BrNO2S — CID 60732174

IUPAC2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C10H12BrNO2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h3-5,7,12H,1,6H2,2H3
InChIKeyAGWGGFUWPKIETJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.22
Rot. Bonds4

About 2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide

2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 60732174) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID60732174
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C10H12BrNO2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h3-5,7,12H,1,6H2,2H3
InChIKeyAGWGGFUWPKIETJ-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
2-bromo-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 103526936
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide
CID 11379736
4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 25252496
2-bromo-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60824533
2-bromo-N-(2,2-dimethylbutyl)-4-methylbenzenesulfonamide
CID 103463984
2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907709
2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 115650768
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102697677
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 60732174) is 2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is AGWGGFUWPKIETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h3-5,7,12H,1,6H2,2H3.
What are the key properties of 2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide?
2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 60732174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).