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

C21H18ClFN2O4S — CID 18892919

IUPAC2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1
InChIInChI=1S/C21H18ClFN2O4S/c1-29-15-8-6-14(7-9-15)13-24-30(27,28)16-10-11-20(19(23)12-16)25-21(26)17-4-2-3-5-18(17)22/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyNYGXSVCRPXJBLB-UHFFFAOYSA-N
MW448.90 g/mol
LogP4.22
Rot. Bonds7

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

2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide (PubChem CID 18892919) has the molecular formula C21H18ClFN2O4S and a molecular weight of 448.90 g/mol. Its IUPAC name is 2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
PubChem CID18892919
Molecular FormulaC21H18ClFN2O4S
Molecular Weight448.90 g/mol
Exact Mass448.07
IUPAC Name2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1
InChIInChI=1S/C21H18ClFN2O4S/c1-29-15-8-6-14(7-9-15)13-24-30(27,28)16-10-11-20(19(23)12-16)25-21(26)17-4-2-3-5-18(17)22/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyNYGXSVCRPXJBLB-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-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide
CID 18893027
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
2,4-dichloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18893079
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
2,4-dichloro-N-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenyl]benzamide
CID 18893075
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
4-chloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18892590
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide (CID 18892919) is 2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide is COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1.
What is the InChIKey of 2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide?
The InChIKey is NYGXSVCRPXJBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O4S/c1-29-15-8-6-14(7-9-15)13-24-30(27,28)16-10-11-20(19(23)12-16)25-21(26)17-4-2-3-5-18(17)22/h2-12,24H,13H2,1H3,(H,25,26).
What are the key properties of 2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide?
2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]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 2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18892919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).