4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide

C11H14BrNO2S — CID 25252496

IUPAC4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C)c(Br)cc1C
InChIInChI=1S/C11H14BrNO2S/c1-4-5-13-16(14,15)11-7-8(2)10(12)6-9(11)3/h4,6-7,13H,1,5H2,2-3H3
InChIKeyBSTYSNQXLSTFHP-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.53
Rot. Bonds4

About 4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide

4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 25252496) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
PubChem CID25252496
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C)c(Br)cc1C
InChIInChI=1S/C11H14BrNO2S/c1-4-5-13-16(14,15)11-7-8(2)10(12)6-9(11)3/h4,6-7,13H,1,5H2,2-3H3
InChIKeyBSTYSNQXLSTFHP-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.53
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-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 60732174
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 27261539
N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119987988
4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 91669643
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
2,5-dibromo-4-methyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 114188227
2-methyl-5-nitro-N-prop-2-enylbenzenesulfonamide
CID 14451036
4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide
CID 11379736
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 113469282

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide (CID 25252496) is 4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(C)c(Br)cc1C.
What is the InChIKey of 4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is BSTYSNQXLSTFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-4-5-13-16(14,15)11-7-8(2)10(12)6-9(11)3/h4,6-7,13H,1,5H2,2-3H3.
What are the key properties of 4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide?
4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 304.21 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 25252496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).