N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide

C10H12BrNO2S — CID 167872887

IUPACN-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCc1ccc(C)cc1Br
InChIInChI=1S/C10H12BrNO2S/c1-3-15(13,14)12-7-9-5-4-8(2)6-10(9)11/h3-6,12H,1,7H2,2H3
InChIKeyUXMBLHAEGLNBCJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.32
Rot. Bonds4

About N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide

N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide (PubChem CID 167872887) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide
PubChem CID167872887
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC NameN-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCc1ccc(C)cc1Br
InChIInChI=1S/C10H12BrNO2S/c1-3-15(13,14)12-7-9-5-4-8(2)6-10(9)11/h3-6,12H,1,7H2,2H3
InChIKeyUXMBLHAEGLNBCJ-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide?
The IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide (CID 167872887) is N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide is C=CS(=O)(=O)NCc1ccc(C)cc1Br.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide?
The InChIKey is UXMBLHAEGLNBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-3-15(13,14)12-7-9-5-4-8(2)6-10(9)11/h3-6,12H,1,7H2,2H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide?
N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide is sourced from PubChem (CID 167872887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).