N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide

C15H14F2N2O2S — CID 59386338

IUPACN-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1c(C)cc(F)c(F)c1Nc1ccccc1
InChIInChI=1S/C15H14F2N2O2S/c1-3-22(20,21)19-14-10(2)9-12(16)13(17)15(14)18-11-7-5-4-6-8-11/h3-9,18-19H,1H2,2H3
InChIKeyBQJRXICWOMEPMX-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.90
Rot. Bonds5

About N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide

N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide (PubChem CID 59386338) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide
PubChem CID59386338
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC NameN-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1c(C)cc(F)c(F)c1Nc1ccccc1
InChIInChI=1S/C15H14F2N2O2S/c1-3-22(20,21)19-14-10(2)9-12(16)13(17)15(14)18-11-7-5-4-6-8-11/h3-9,18-19H,1H2,2H3
InChIKeyBQJRXICWOMEPMX-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)ethenesulfonamide
CID 58724758
3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine
CID 101426182
1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine
CID 144989891
4,5-dianilino-3,6-difluorophthalic acid
CID 139627144
2,6-difluoro-N-phenylaniline
CID 13387559
N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide
CID 146575713
ethane;N-(methylsulfamoyl)aniline
CID 91119809
2,6-difluoro-1-N-phenylbenzene-1,4-diamine
CID 61017044
N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
CID 112986671
N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide
CID 57148024
N-(4-anilino-2,6-dimethylphenyl)acetamide
CID 69353089
N'-(2,3,5,6-tetrafluorophenyl)benzenesulfonohydrazide
CID 2478133

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide?
The IUPAC name of N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide (CID 59386338) is N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide.
What is the SMILES notation for N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide?
The canonical SMILES for N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide is C=CS(=O)(=O)Nc1c(C)cc(F)c(F)c1Nc1ccccc1.
What is the InChIKey of N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide?
The InChIKey is BQJRXICWOMEPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c1-3-22(20,21)19-14-10(2)9-12(16)13(17)15(14)18-11-7-5-4-6-8-11/h3-9,18-19H,1H2,2H3.
What are the key properties of N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide?
N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide has a molecular weight of 324.35 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 59386338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).