(E)-2-anilinoethenesulfonyl fluoride;hydrochloride

C8H9ClFNO2S — CID 88507649

IUPAC(E)-2-anilinoethenesulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)/C=C/Nc1ccccc1
InChIInChI=1S/C8H8FNO2S.ClH/c9-13(11,12)7-6-10-8-4-2-1-3-5-8;/h1-7,10H;1H/b7-6+;
InChIKeyNSHAGRVZYXLEQL-UHDJGPCESA-N
MW237.68 g/mol
LogP2.29
Rot. Bonds3

About (E)-2-anilinoethenesulfonyl fluoride;hydrochloride

(E)-2-anilinoethenesulfonyl fluoride;hydrochloride (PubChem CID 88507649) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is (E)-2-anilinoethenesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name(E)-2-anilinoethenesulfonyl fluoride;hydrochloride
PubChem CID88507649
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC Name(E)-2-anilinoethenesulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)/C=C/Nc1ccccc1
InChIInChI=1S/C8H8FNO2S.ClH/c9-13(11,12)7-6-10-8-4-2-1-3-5-8;/h1-7,10H;1H/b7-6+;
InChIKeyNSHAGRVZYXLEQL-UHDJGPCESA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-2-anilinoethenesulfonyl fluoride;hydrochloride 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,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
benzene;bis(N-prop-1-enylaniline)
CID 70363490
2-anilinoethenol
CID 154058037
lithium;hydride;N-phenylformamide
CID 174281873
(Z)-3-anilinoprop-2-enamide
CID 143937122
(fluorosulfonylsulfonylamino)benzene
CID 18785310
N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
CID 161064876
1-anilino-5-phenylpenta-1,4-dien-3-one
CID 3796923
cesium;hydride;N-phenylformamide
CID 173414611
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
(Z)-3-[4-(benzenesulfonyl)anilino]-1-phenylprop-2-en-1-one
CID 26457725

Frequently Asked Questions

What is the IUPAC name of (E)-2-anilinoethenesulfonyl fluoride;hydrochloride?
The IUPAC name of (E)-2-anilinoethenesulfonyl fluoride;hydrochloride (CID 88507649) is (E)-2-anilinoethenesulfonyl fluoride;hydrochloride.
What is the SMILES notation for (E)-2-anilinoethenesulfonyl fluoride;hydrochloride?
The canonical SMILES for (E)-2-anilinoethenesulfonyl fluoride;hydrochloride is Cl.O=S(=O)(F)/C=C/Nc1ccccc1.
What is the InChIKey of (E)-2-anilinoethenesulfonyl fluoride;hydrochloride?
The InChIKey is NSHAGRVZYXLEQL-UHDJGPCESA-N. The full InChI is InChI=1S/C8H8FNO2S.ClH/c9-13(11,12)7-6-10-8-4-2-1-3-5-8;/h1-7,10H;1H/b7-6+;.
What are the key properties of (E)-2-anilinoethenesulfonyl fluoride;hydrochloride?
(E)-2-anilinoethenesulfonyl fluoride;hydrochloride has a molecular weight of 237.68 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-anilinoethenesulfonyl fluoride;hydrochloride is sourced from PubChem (CID 88507649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).