4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide

C21H24F2N2O3S — CID 7032351

IUPAC4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)cc1F
InChIInChI=1S/C21H24F2N2O3S/c1-13-7-9-16(12-18(13)23)24-21(26)15-8-10-17(22)20(11-15)29(27,28)25-19-6-4-3-5-14(19)2/h7-12,14,19,25H,3-6H2,1-2H3,(H,24,26)/t14-,19+/m1/s1
InChIKeyIMGZGBKHTIEVPU-KUHUBIRLSA-N
MW422.50 g/mol
LogP4.38
Rot. Bonds5

About 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide

4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide (PubChem CID 7032351) has the molecular formula C21H24F2N2O3S and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
PubChem CID7032351
Molecular FormulaC21H24F2N2O3S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)cc1F
InChIInChI=1S/C21H24F2N2O3S/c1-13-7-9-16(12-18(13)23)24-21(26)15-8-10-17(22)20(11-15)29(27,28)25-19-6-4-3-5-14(19)2/h7-12,14,19,25H,3-6H2,1-2H3,(H,24,26)/t14-,19+/m1/s1
InChIKeyIMGZGBKHTIEVPU-KUHUBIRLSA-N
XLogP4.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide?
The IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide (CID 7032351) is 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide?
The canonical SMILES for 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide is Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)cc1F.
What is the InChIKey of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide?
The InChIKey is IMGZGBKHTIEVPU-KUHUBIRLSA-N. The full InChI is InChI=1S/C21H24F2N2O3S/c1-13-7-9-16(12-18(13)23)24-21(26)15-8-10-17(22)20(11-15)29(27,28)25-19-6-4-3-5-14(19)2/h7-12,14,19,25H,3-6H2,1-2H3,(H,24,26)/t14-,19+/m1/s1.
What are the key properties of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide?
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide has a molecular weight of 422.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide is sourced from PubChem (CID 7032351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).