2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C21H17ClF2N2O5S — CID 26851594

IUPAC2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2OC)cc1
InChIInChI=1S/C21H17ClF2N2O5S/c1-30-14-6-3-12(4-7-14)26-32(28,29)20-9-13(5-8-19(20)31-2)25-21(27)15-10-17(23)18(24)11-16(15)22/h3-11,26H,1-2H3,(H,25,27)
InChIKeyPQGVYMGLCZBPFI-UHFFFAOYSA-N
MW482.89 g/mol
LogP4.69
Rot. Bonds7

About 2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 26851594) has the molecular formula C21H17ClF2N2O5S and a molecular weight of 482.89 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID26851594
Molecular FormulaC21H17ClF2N2O5S
Molecular Weight482.89 g/mol
Exact Mass482.05
IUPAC Name2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2OC)cc1
InChIInChI=1S/C21H17ClF2N2O5S/c1-30-14-6-3-12(4-7-14)26-32(28,29)20-9-13(5-8-19(20)31-2)25-21(27)15-10-17(23)18(24)11-16(15)22/h3-11,26H,1-2H3,(H,25,27)
InChIKeyPQGVYMGLCZBPFI-UHFFFAOYSA-N
XLogP4.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.89
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 167831780
2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide
CID 26642387
(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 46489533
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55836989
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylsulfanylacetamide
CID 4788054
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 26851594) is 2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2OC)cc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is PQGVYMGLCZBPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O5S/c1-30-14-6-3-12(4-7-14)26-32(28,29)20-9-13(5-8-19(20)31-2)25-21(27)15-10-17(23)18(24)11-16(15)22/h3-11,26H,1-2H3,(H,25,27).
What are the key properties of 2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 482.89 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 26851594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).