2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide

C21H18ClFN2O5S — CID 18892982

IUPAC2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1
InChIInChI=1S/C21H18ClFN2O5S/c1-29-13-7-10-20(30-2)19(11-13)25-31(27,28)14-8-9-18(17(23)12-14)24-21(26)15-5-3-4-6-16(15)22/h3-12,25H,1-2H3,(H,24,26)
InChIKeyBLUYXMRWHUOLSG-UHFFFAOYSA-N
MW464.90 g/mol
LogP4.55
Rot. Bonds7

About 2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide

2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide (PubChem CID 18892982) has the molecular formula C21H18ClFN2O5S and a molecular weight of 464.90 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
PubChem CID18892982
Molecular FormulaC21H18ClFN2O5S
Molecular Weight464.90 g/mol
Exact Mass464.06
IUPAC Name2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1
InChIInChI=1S/C21H18ClFN2O5S/c1-29-13-7-10-20(30-2)19(11-13)25-31(27,28)14-8-9-18(17(23)12-14)24-21(26)15-5-3-4-6-16(15)22/h3-12,25H,1-2H3,(H,24,26)
InChIKeyBLUYXMRWHUOLSG-UHFFFAOYSA-N
XLogP4.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.90
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
CID 18892919
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893309
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893032
2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide
CID 18893036
N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide
CID 71346608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide (CID 18892982) is 2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1.
What is the InChIKey of 2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The InChIKey is BLUYXMRWHUOLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O5S/c1-29-13-7-10-20(30-2)19(11-13)25-31(27,28)14-8-9-18(17(23)12-14)24-21(26)15-5-3-4-6-16(15)22/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide has a molecular weight of 464.90 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide is sourced from PubChem (CID 18892982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).