(E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide

C16H18N2O2S — CID 97465028

IUPAC(E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCc1cc(C)c(/C=C/S(=O)(=O)Nc2ccccn2)c(C)c1
InChIInChI=1S/C16H18N2O2S/c1-12-10-13(2)15(14(3)11-12)7-9-21(19,20)18-16-6-4-5-8-17-16/h4-11H,1-3H3,(H,17,18)/b9-7+
InChIKeyCOUNSCADBIIPMZ-VQHVLOKHSA-N
MW302.40 g/mol
LogP3.42
Rot. Bonds4

About (E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide

(E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide (PubChem CID 97465028) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
PubChem CID97465028
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCc1cc(C)c(/C=C/S(=O)(=O)Nc2ccccn2)c(C)c1
InChIInChI=1S/C16H18N2O2S/c1-12-10-13(2)15(14(3)11-12)7-9-21(19,20)18-16-6-4-5-8-17-16/h4-11H,1-3H3,(H,17,18)/b9-7+
InChIKeyCOUNSCADBIIPMZ-VQHVLOKHSA-N
XLogP3.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 71835205
N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 71835207
(E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 90481118
(E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 10481697
(E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 90481095
(E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 90481104
2,3,5,6-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 2147472
2,3,4,5-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644704
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 71835226
2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 60824838
(Z)-2-(2-chlorophenyl)-N-(4-chloro-2-pyridinyl)ethenesulfonamide
CID 97378346
4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 106996553

Frequently Asked Questions

What is the IUPAC name of (E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide (CID 97465028) is (E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide is Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccccn2)c(C)c1.
What is the InChIKey of (E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The InChIKey is COUNSCADBIIPMZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-10-13(2)15(14(3)11-12)7-9-21(19,20)18-16-6-4-5-8-17-16/h4-11H,1-3H3,(H,17,18)/b9-7+.
What are the key properties of (E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
(E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide is sourced from PubChem (CID 97465028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).