(E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide

C9H12N2O4S2 — CID 58755395

IUPAC(E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(/C=C/S(N)(=O)=O)cc1
InChIInChI=1S/C9H12N2O4S2/c1-16(12,13)11-9-4-2-8(3-5-9)6-7-17(10,14)15/h2-7,11H,1H3,(H2,10,14,15)/b7-6+
InChIKeyYMOGDLNYXPGMBS-VOTSOKGWSA-N
MW276.34 g/mol
LogP0.32
Rot. Bonds4

About (E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide

(E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide (PubChem CID 58755395) has the molecular formula C9H12N2O4S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide
PubChem CID58755395
Molecular FormulaC9H12N2O4S2
Molecular Weight276.34 g/mol
Exact Mass276.02
IUPAC Name(E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(/C=C/S(N)(=O)=O)cc1
InChIInChI=1S/C9H12N2O4S2/c1-16(12,13)11-9-4-2-8(3-5-9)6-7-17(10,14)15/h2-7,11H,1H3,(H2,10,14,15)/b7-6+
InChIKeyYMOGDLNYXPGMBS-VOTSOKGWSA-N
XLogP0.32
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 173016120
CID 173016120
N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
CID 59156553
(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 31073687
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide
CID 43532219
N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide
CID 162345129
(E)-2-(4-fluorophenyl)ethenesulfonamide
CID 22750880
(E)-2-(4-propan-2-ylphenyl)ethenesulfonamide
CID 22750924
N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 68660252
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033
(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51333544
CID 90390717
CID 90390717

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide (CID 58755395) is (E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide is CS(=O)(=O)Nc1ccc(/C=C/S(N)(=O)=O)cc1.
What is the InChIKey of (E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide?
The InChIKey is YMOGDLNYXPGMBS-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H12N2O4S2/c1-16(12,13)11-9-4-2-8(3-5-9)6-7-17(10,14)15/h2-7,11H,1H3,(H2,10,14,15)/b7-6+.
What are the key properties of (E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide?
(E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide has a molecular weight of 276.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide is sourced from PubChem (CID 58755395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).