2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

C22H20ClFN2O5S — CID 3403874

IUPAC2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3c(F)cccc3Cl)ccc2OC)cc1
InChIInChI=1S/C22H20ClFN2O5S/c1-30-16-9-6-14(7-10-16)26-32(28,29)21-12-15(8-11-20(21)31-2)25-22(27)13-17-18(23)4-3-5-19(17)24/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeyHZNDPOWDOONCKE-UHFFFAOYSA-N
MW478.93 g/mol
LogP4.48
Rot. Bonds8

About 2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 3403874) has the molecular formula C22H20ClFN2O5S and a molecular weight of 478.93 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID3403874
Molecular FormulaC22H20ClFN2O5S
Molecular Weight478.93 g/mol
Exact Mass478.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3c(F)cccc3Cl)ccc2OC)cc1
InChIInChI=1S/C22H20ClFN2O5S/c1-30-16-9-6-14(7-10-16)26-32(28,29)21-12-15(8-11-20(21)31-2)25-22(27)13-17-18(23)4-3-5-19(17)24/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeyHZNDPOWDOONCKE-UHFFFAOYSA-N
XLogP4.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.93
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bay-1797
CID 124125214
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3365317
2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3968655
4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 4966507
2-[Benzenesulfonyl-(4-methoxy-phenyl)-amino]-N-(3-chloro-2-methyl-phenyl)-acetamide
CID 1134581
2-(2-chloro-5-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125200
2-(2-chlorophenyl)-N-[4-[3-(3-oxomorpholin-4-yl)phenoxy]-3-sulfamoylphenyl]acetamide
CID 124125228
2-(2-chlorophenyl)-N-[4-(3-methoxyphenoxy)-3-sulfamoylphenyl]acetamide
CID 124125229
N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-phenylpropanamide
CID 124125230
2-(2-chloro-3-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125238
2-(2-chlorophenyl)-N-(4-phenoxy-3-sulfamoylphenyl)acetamide
CID 124125239

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (CID 3403874) is 2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3c(F)cccc3Cl)ccc2OC)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is HZNDPOWDOONCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O5S/c1-30-16-9-6-14(7-10-16)26-32(28,29)21-12-15(8-11-20(21)31-2)25-22(27)13-17-18(23)4-3-5-19(17)24/h3-12,26H,13H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 478.93 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3403874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).