(E)-2-phenylethenesulfonamide

C8H9NO2S — CID 5357731

IUPAC(E)-2-phenylethenesulfonamide
SMILESNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C8H9NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,9,10,11)/b7-6+
InChIKeySHPHBMZZXHFXDF-VOTSOKGWSA-N
MW183.23 g/mol
LogP0.95
Rot. Bonds2

About (E)-2-phenylethenesulfonamide

(E)-2-phenylethenesulfonamide (PubChem CID 5357731) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is (E)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenylethenesulfonamide
PubChem CID5357731
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name(E)-2-phenylethenesulfonamide
SMILESNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C8H9NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,9,10,11)/b7-6+
InChIKeySHPHBMZZXHFXDF-VOTSOKGWSA-N
XLogP0.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

P-Toluenesulfonamide
CID 6269
Phenylmethylsulfonyl Fluoride
CID 4784
2-Methylbenzenesulfonamide
CID 6924
Benzylsulfonic acid
CID 7532
Benzenemethanesulfonamide
CID 78318
4-Ethylbenzenesulfonamide
CID 222870
2-Phenylethynesulfonamide
CID 327653
4-Butylbenzenesulfonamide
CID 2054776
Phenylmethanesulfonyl chloride
CID 74740
4-Propylbenzenesulfonamide
CID 2265561
Phenylmethanesulfinic acid
CID 3311411
m-Toluenesulphonamide
CID 74697

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenylethenesulfonamide?
The IUPAC name of (E)-2-phenylethenesulfonamide (CID 5357731) is (E)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-2-phenylethenesulfonamide is NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-phenylethenesulfonamide?
The InChIKey is SHPHBMZZXHFXDF-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H9NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,9,10,11)/b7-6+.
What are the key properties of (E)-2-phenylethenesulfonamide?
(E)-2-phenylethenesulfonamide has a molecular weight of 183.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenylethenesulfonamide is sourced from PubChem (CID 5357731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).