2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide

C20H13ClFN3O4S — CID 90467626

IUPAC2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C20H13ClFN3O4S/c21-17-9-13(22)5-7-18(17)29-19-8-12(11-23)4-6-16(19)20(26)25-14-2-1-3-15(10-14)30(24,27)28/h1-10H,(H,25,26)(H2,24,27,28)
InChIKeyGNSNUJNIEWACEC-UHFFFAOYSA-N
MW445.86 g/mol
LogP4.04
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide

2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide (PubChem CID 90467626) has the molecular formula C20H13ClFN3O4S and a molecular weight of 445.86 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide
PubChem CID90467626
Molecular FormulaC20H13ClFN3O4S
Molecular Weight445.86 g/mol
Exact Mass445.03
IUPAC Name2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C20H13ClFN3O4S/c21-17-9-13(22)5-7-18(17)29-19-8-12(11-23)4-6-16(19)20(26)25-14-2-1-3-15(10-14)30(24,27)28/h1-10H,(H,25,26)(H2,24,27,28)
InChIKeyGNSNUJNIEWACEC-UHFFFAOYSA-N
XLogP4.04
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dichloro-6-(4-fluoro-2-
CID 90467490
2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
CID 90465873
2-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
CID 90465877
2-(2-chloro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
CID 90466026
2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466028
2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 90466175
2-(4-chloro-2-methoxyphenoxy)-N-
CID 90466177
2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 90466178
2-(4-ethoxyphenoxy)-N-(3-
CID 90466320
2-(4-Methoxy-2-methylphenoxy)-
CID 90466323
N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide
CID 90466324
2-(2-Chloro-4-methoxyphenoxy)-
CID 90466460

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide (CID 90467626) is 2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide is N#Cc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(Oc2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is GNSNUJNIEWACEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O4S/c21-17-9-13(22)5-7-18(17)29-19-8-12(11-23)4-6-16(19)20(26)25-14-2-1-3-15(10-14)30(24,27)28/h1-10H,(H,25,26)(H2,24,27,28).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide?
2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 445.86 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-4-cyano-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 90467626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).