2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate

C21H17F2N2O5S- — CID 2374438

IUPAC2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate
SMILESCOc1ccc(/N=C(/[O-])c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C21H18F2N2O5S/c1-29-13-7-10-19(20(11-13)30-2)24-21(26)15-5-3-4-6-18(15)25-31(27,28)14-8-9-16(22)17(23)12-14/h3-12,25H,1-2H3,(H,24,26)/p-1
InChIKeyGBUVUSXFOVOWBT-UHFFFAOYSA-M
MW447.44 g/mol
LogP3.22
Rot. Bonds7

About 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate

2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate (PubChem CID 2374438) has the molecular formula C21H17F2N2O5S- and a molecular weight of 447.44 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate
PubChem CID2374438
Molecular FormulaC21H17F2N2O5S-
Molecular Weight447.44 g/mol
Exact Mass447.08
IUPAC Name2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate
SMILESCOc1ccc(/N=C(/[O-])c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C21H18F2N2O5S/c1-29-13-7-10-19(20(11-13)30-2)24-21(26)15-5-3-4-6-18(15)25-31(27,28)14-8-9-16(22)17(23)12-14/h3-12,25H,1-2H3,(H,24,26)/p-1
InChIKeyGBUVUSXFOVOWBT-UHFFFAOYSA-M
XLogP3.22
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenecarboximidate
CID 2374729
3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 102695953
N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 3564275
N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide
CID 71346608
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2374730
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 39827756
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2637800
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate?
The IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate (CID 2374438) is 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate.
What is the SMILES notation for 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate?
The canonical SMILES for 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate is COc1ccc(/N=C(/[O-])c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)c(OC)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate?
The InChIKey is GBUVUSXFOVOWBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H18F2N2O5S/c1-29-13-7-10-19(20(11-13)30-2)24-21(26)15-5-3-4-6-18(15)25-31(27,28)14-8-9-16(22)17(23)12-14/h3-12,25H,1-2H3,(H,24,26)/p-1.
What are the key properties of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate?
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate has a molecular weight of 447.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate is sourced from PubChem (CID 2374438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).