(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide

C9H11NO4S2 — CID 43532219

IUPAC(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide
SMILESCS(=O)(=O)c1ccc(/C=C/S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S2/c1-15(11,12)9-4-2-8(3-5-9)6-7-16(10,13)14/h2-7H,1H3,(H2,10,13,14)/b7-6+
InChIKeyRNDSKCOYAKSNCU-VOTSOKGWSA-N
MW261.32 g/mol
LogP0.35
Rot. Bonds3

About (E)-2-(4-methylsulfonylphenyl)ethenesulfonamide

(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide (PubChem CID 43532219) has the molecular formula C9H11NO4S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-2-(4-methylsulfonylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide
PubChem CID43532219
Molecular FormulaC9H11NO4S2
Molecular Weight261.32 g/mol
Exact Mass261.01
IUPAC Name(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide
SMILESCS(=O)(=O)c1ccc(/C=C/S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S2/c1-15(11,12)9-4-2-8(3-5-9)6-7-16(10,13)14/h2-7H,1H3,(H2,10,13,14)/b7-6+
InChIKeyRNDSKCOYAKSNCU-VOTSOKGWSA-N
XLogP0.35
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylsulfonylphenyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylsulfonylphenyl)ethenesulfonamide (CID 43532219) is (E)-2-(4-methylsulfonylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylsulfonylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylsulfonylphenyl)ethenesulfonamide is CS(=O)(=O)c1ccc(/C=C/S(N)(=O)=O)cc1.
What is the InChIKey of (E)-2-(4-methylsulfonylphenyl)ethenesulfonamide?
The InChIKey is RNDSKCOYAKSNCU-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H11NO4S2/c1-15(11,12)9-4-2-8(3-5-9)6-7-16(10,13)14/h2-7H,1H3,(H2,10,13,14)/b7-6+.
What are the key properties of (E)-2-(4-methylsulfonylphenyl)ethenesulfonamide?
(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylsulfonylphenyl)ethenesulfonamide is sourced from PubChem (CID 43532219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).