(E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide

C17H18BrNO2S — CID 90481104

IUPAC(E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C17H18BrNO2S/c1-12-9-13(2)17(14(3)10-12)7-8-22(20,21)19-16-6-4-5-15(18)11-16/h4-11,19H,1-3H3/b8-7+
InChIKeyLOPPQFPCLJXUSH-BQYQJAHWSA-N
MW380.31 g/mol
LogP4.79
Rot. Bonds4

About (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide

(E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide (PubChem CID 90481104) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
PubChem CID90481104
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC Name(E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C17H18BrNO2S/c1-12-9-13(2)17(14(3)10-12)7-8-22(20,21)19-16-6-4-5-15(18)11-16/h4-11,19H,1-3H3/b8-7+
InChIKeyLOPPQFPCLJXUSH-BQYQJAHWSA-N
XLogP4.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 71835207
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 71835205
(E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 90481095
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
(E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 97465028
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
N-(3-methylphenyl)ethenesulfonamide
CID 58724758
N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328569
(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide
CID 90481144
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387
N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 71890358
3-bromo-N-(tert-butylsulfamoyl)aniline
CID 104516899

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide (CID 90481104) is (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide is Cc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc(Br)c2)c(C)c1.
What is the InChIKey of (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The InChIKey is LOPPQFPCLJXUSH-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c1-12-9-13(2)17(14(3)10-12)7-8-22(20,21)19-16-6-4-5-15(18)11-16/h4-11,19H,1-3H3/b8-7+.
What are the key properties of (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
(E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide has a molecular weight of 380.31 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide is sourced from PubChem (CID 90481104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).