N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide

C21H18ClFN2O4S — CID 4085580

IUPACN-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClFN2O4S/c1-29-20-5-3-2-4-14(20)13-24-30(27,28)17-10-11-19(23)18(12-17)21(26)25-16-8-6-15(22)7-9-16/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyCFCBRHLGFIJVRI-UHFFFAOYSA-N
MW448.90 g/mol
LogP4.22
Rot. Bonds7

About N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide

N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide (PubChem CID 4085580) has the molecular formula C21H18ClFN2O4S and a molecular weight of 448.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
PubChem CID4085580
Molecular FormulaC21H18ClFN2O4S
Molecular Weight448.90 g/mol
Exact Mass448.07
IUPAC NameN-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClFN2O4S/c1-29-20-5-3-2-4-14(20)13-24-30(27,28)17-10-11-19(23)18(12-17)21(26)25-16-8-6-15(22)7-9-16/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyCFCBRHLGFIJVRI-UHFFFAOYSA-N
XLogP4.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4524450
N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 3255952
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide
CID 4085582
4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
CID 18893514
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142552
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide (CID 4085580) is N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide is COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The InChIKey is CFCBRHLGFIJVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O4S/c1-29-20-5-3-2-4-14(20)13-24-30(27,28)17-10-11-19(23)18(12-17)21(26)25-16-8-6-15(22)7-9-16/h2-12,24H,13H2,1H3,(H,25,26).
What are the key properties of N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide has a molecular weight of 448.90 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 4085580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).