N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide

C21H19FN2O4S2 — CID 26950186

IUPACN-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C21H19FN2O4S2/c1-16-11-12-18(23-29(25,26)14-13-17-7-3-2-4-8-17)15-21(16)30(27,28)24-20-10-6-5-9-19(20)22/h2-15,23-24H,1H3/b14-13+
InChIKeyAUOZMDXATZUWJI-BUHFOSPRSA-N
MW446.53 g/mol
LogP4.35
Rot. Bonds7

About N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide

N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 26950186) has the molecular formula C21H19FN2O4S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
PubChem CID26950186
Molecular FormulaC21H19FN2O4S2
Molecular Weight446.53 g/mol
Exact Mass446.08
IUPAC NameN-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C21H19FN2O4S2/c1-16-11-12-18(23-29(25,26)14-13-17-7-3-2-4-8-17)15-21(16)30(27,28)24-20-10-6-5-9-19(20)22/h2-15,23-24H,1H3/b14-13+
InChIKeyAUOZMDXATZUWJI-BUHFOSPRSA-N
XLogP4.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528
N-(2-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 47148674
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 75535525
3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride
CID 16782218
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 31474000
5-[(2-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519696
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 37194892
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 31474763

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide (CID 26950186) is N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide is Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is AUOZMDXATZUWJI-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H19FN2O4S2/c1-16-11-12-18(23-29(25,26)14-13-17-7-3-2-4-8-17)15-21(16)30(27,28)24-20-10-6-5-9-19(20)22/h2-15,23-24H,1H3/b14-13+.
What are the key properties of N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 26950186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).