5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide

C21H25FN2O3S — CID 4102001

IUPAC5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2F)c1C
InChIInChI=1S/C21H25FN2O3S/c1-14-7-6-10-20(15(14)2)23-21(25)18-13-17(11-12-19(18)22)28(26,27)24-16-8-4-3-5-9-16/h6-7,10-13,16,24H,3-5,8-9H2,1-2H3,(H,23,25)
InChIKeyFYKJYJVDMOWPDR-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.31
Rot. Bonds5

About 5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide

5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide (PubChem CID 4102001) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
PubChem CID4102001
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2F)c1C
InChIInChI=1S/C21H25FN2O3S/c1-14-7-6-10-20(15(14)2)23-21(25)18-13-17(11-12-19(18)22)28(26,27)24-16-8-4-3-5-9-16/h6-7,10-13,16,24H,3-5,8-9H2,1-2H3,(H,23,25)
InChIKeyFYKJYJVDMOWPDR-UHFFFAOYSA-N
XLogP4.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 3452162
5-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 4685317
5-(cyclopentylsulfamoyl)-2-fluoro-N-(3-methylphenyl)benzamide
CID 5157745
5-(cyclopentylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 4643786
N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide
CID 25046549
N-(3-chlorophenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 90075218
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426
5-(cyclohexylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190474
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
5-(cyclopentylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190475
5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142552
5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142544

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide (CID 4102001) is 5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2F)c1C.
What is the InChIKey of 5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is FYKJYJVDMOWPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-14-7-6-10-20(15(14)2)23-21(25)18-13-17(11-12-19(18)22)28(26,27)24-16-8-4-3-5-9-16/h6-7,10-13,16,24H,3-5,8-9H2,1-2H3,(H,23,25).
What are the key properties of 5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 4102001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).