2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

C21H18ClFN2O4S — CID 26115061

IUPAC2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C21H18ClFN2O4S/c1-25(19-9-5-6-10-20(19)29-2)30(27,28)14-11-12-16(22)15(13-14)21(26)24-18-8-4-3-7-17(18)23/h3-13H,1-2H3,(H,24,26)
InChIKeyHLZKDDOBWVKHBQ-UHFFFAOYSA-N
MW448.90 g/mol
LogP4.57
Rot. Bonds6

About 2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 26115061) has the molecular formula C21H18ClFN2O4S and a molecular weight of 448.90 g/mol. Its IUPAC name is 2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID26115061
Molecular FormulaC21H18ClFN2O4S
Molecular Weight448.90 g/mol
Exact Mass448.07
IUPAC Name2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C21H18ClFN2O4S/c1-25(19-9-5-6-10-20(19)29-2)30(27,28)14-11-12-16(22)15(13-14)21(26)24-18-8-4-3-7-17(18)23/h3-13H,1-2H3,(H,24,26)
InChIKeyHLZKDDOBWVKHBQ-UHFFFAOYSA-N
XLogP4.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26655839
2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2709372
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 17434832
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 24513051
methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate
CID 30804474
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55332147
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2368499
2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 16551413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (CID 26115061) is 2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is HLZKDDOBWVKHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O4S/c1-25(19-9-5-6-10-20(19)29-2)30(27,28)14-11-12-16(22)15(13-14)21(26)24-18-8-4-3-7-17(18)23/h3-13H,1-2H3,(H,24,26).
What are the key properties of 2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 448.90 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 26115061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).