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

C21H18F2N2O4S — CID 18893514

IUPAC4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C21H18F2N2O4S/c1-29-20-5-3-2-4-15(20)13-24-30(27,28)17-10-11-19(18(23)12-17)25-21(26)14-6-8-16(22)9-7-14/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyHKCHMSRGKNMNSN-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.70
Rot. Bonds7

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

4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide (PubChem CID 18893514) has the molecular formula C21H18F2N2O4S and a molecular weight of 432.45 g/mol. Its IUPAC name is 4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
PubChem CID18893514
Molecular FormulaC21H18F2N2O4S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Name4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C21H18F2N2O4S/c1-29-20-5-3-2-4-15(20)13-24-30(27,28)17-10-11-19(18(23)12-17)25-21(26)14-6-8-16(22)9-7-14/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyHKCHMSRGKNMNSN-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18892590
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 3255952
4-fluoro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18893464
N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4085580
N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059952
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4524450
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
CID 109060818
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833
2,4-dichloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18893079

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide (CID 18893514) is 4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide is COc1ccccc1CNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1.
What is the InChIKey of 4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide?
The InChIKey is HKCHMSRGKNMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4S/c1-29-20-5-3-2-4-15(20)13-24-30(27,28)17-10-11-19(18(23)12-17)25-21(26)14-6-8-16(22)9-7-14/h2-12,24H,13H2,1H3,(H,25,26).
What are the key properties of 4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide?
4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide has a molecular weight of 432.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18893514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).