4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide

C10H12BrNO2S — CID 43845616

IUPAC4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrNO2S/c1-3-6-12-15(13,14)9-4-5-10(11)8(2)7-9/h3-5,7,12H,1,6H2,2H3
InChIKeyAAMHYVRWDFIIQU-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.22
Rot. Bonds4

About 4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide

4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 43845616) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID43845616
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrNO2S/c1-3-6-12-15(13,14)9-4-5-10(11)8(2)7-9/h3-5,7,12H,1,6H2,2H3
InChIKeyAAMHYVRWDFIIQU-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide (CID 43845616) is 4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is AAMHYVRWDFIIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-3-6-12-15(13,14)9-4-5-10(11)8(2)7-9/h3-5,7,12H,1,6H2,2H3.
What are the key properties of 4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide?
4-bromo-3-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 4-bromo-3-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 43845616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).