4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide

C21H24ClFN2O3S — CID 18892724

IUPAC4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClFN2O3S/c22-16-10-8-15(9-11-16)21(26)24-20-13-12-18(14-19(20)23)29(27,28)25-17-6-4-2-1-3-5-7-17/h8-14,17,25H,1-7H2,(H,24,26)
InChIKeyHXFBXFOCAFOAJQ-UHFFFAOYSA-N
MW438.95 g/mol
LogP5.12
Rot. Bonds5

About 4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide

4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide (PubChem CID 18892724) has the molecular formula C21H24ClFN2O3S and a molecular weight of 438.95 g/mol. Its IUPAC name is 4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide
PubChem CID18892724
Molecular FormulaC21H24ClFN2O3S
Molecular Weight438.95 g/mol
Exact Mass438.12
IUPAC Name4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClFN2O3S/c22-16-10-8-15(9-11-16)21(26)24-20-13-12-18(14-19(20)23)29(27,28)25-17-6-4-2-1-3-5-7-17/h8-14,17,25H,1-7H2,(H,24,26)
InChIKeyHXFBXFOCAFOAJQ-UHFFFAOYSA-N
XLogP5.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.95
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(cyclohexylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892581
4-chloro-N-[4-(cyclopentylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892580
N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide
CID 25046549
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide
CID 5008740
5-(cyclohexylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190474
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892609

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide (CID 18892724) is 4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide?
The InChIKey is HXFBXFOCAFOAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O3S/c22-16-10-8-15(9-11-16)21(26)24-20-13-12-18(14-19(20)23)29(27,28)25-17-6-4-2-1-3-5-7-17/h8-14,17,25H,1-7H2,(H,24,26).
What are the key properties of 4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide?
4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide has a molecular weight of 438.95 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide is sourced from PubChem (CID 18892724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).