(4-ethenylphenyl)-difluoromethanesulfonamide

C9H9F2NO2S — CID 175410018

IUPAC(4-ethenylphenyl)-difluoromethanesulfonamide
SMILESC=Cc1ccc(C(F)(F)S(N)(=O)=O)cc1
InChIInChI=1S/C9H9F2NO2S/c1-2-7-3-5-8(6-4-7)9(10,11)15(12,13)14/h2-6H,1H2,(H2,12,13,14)
InChIKeyKDZRRLSIMANFJZ-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.67
Rot. Bonds3

About (4-ethenylphenyl)-difluoromethanesulfonamide

(4-ethenylphenyl)-difluoromethanesulfonamide (PubChem CID 175410018) has the molecular formula C9H9F2NO2S and a molecular weight of 233.24 g/mol. Its IUPAC name is (4-ethenylphenyl)-difluoromethanesulfonamide.

Molecular Properties

Compound Name(4-ethenylphenyl)-difluoromethanesulfonamide
PubChem CID175410018
Molecular FormulaC9H9F2NO2S
Molecular Weight233.24 g/mol
Exact Mass233.03
IUPAC Name(4-ethenylphenyl)-difluoromethanesulfonamide
SMILESC=Cc1ccc(C(F)(F)S(N)(=O)=O)cc1
InChIInChI=1S/C9H9F2NO2S/c1-2-7-3-5-8(6-4-7)9(10,11)15(12,13)14/h2-6H,1H2,(H2,12,13,14)
InChIKeyKDZRRLSIMANFJZ-UHFFFAOYSA-N
XLogP1.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-ethenylphenyl)-difluoromethanesulfonamide 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

(4-ethenylphenyl)-difluoromethanesulfonate
CID 59554748
carbanylium;(4-ethenylphenyl)-difluoromethanesulfonate
CID 159575348
1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 18928984
1-(1,1-difluoroethyl)-4-ethenylbenzene
CID 59554717
[4-[(4-ethenylphenyl)methoxy]phenyl]-difluoromethanesulfonic acid
CID 89361568
2-(4-ethenylphenyl)-2,2-difluoroacetic acid
CID 154126717
1-tert-butyl-4-ethenylbenzene
CID 15627
(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate
CID 140648641
aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)
CID 175122600
2-(4-ethenylphenyl)propan-2-amine;hydrochloride
CID 173390988
1,4-bis(ethenyl)benzene;urea
CID 18766675
4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid
CID 88633665

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)-difluoromethanesulfonamide?
The IUPAC name of (4-ethenylphenyl)-difluoromethanesulfonamide (CID 175410018) is (4-ethenylphenyl)-difluoromethanesulfonamide.
What is the SMILES notation for (4-ethenylphenyl)-difluoromethanesulfonamide?
The canonical SMILES for (4-ethenylphenyl)-difluoromethanesulfonamide is C=Cc1ccc(C(F)(F)S(N)(=O)=O)cc1.
What is the InChIKey of (4-ethenylphenyl)-difluoromethanesulfonamide?
The InChIKey is KDZRRLSIMANFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2S/c1-2-7-3-5-8(6-4-7)9(10,11)15(12,13)14/h2-6H,1H2,(H2,12,13,14).
What are the key properties of (4-ethenylphenyl)-difluoromethanesulfonamide?
(4-ethenylphenyl)-difluoromethanesulfonamide has a molecular weight of 233.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)-difluoromethanesulfonamide is sourced from PubChem (CID 175410018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).