4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid

C20H22FNO4S — CID 1169529

IUPAC4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C20H22FNO4S/c21-17-10-6-15(7-11-17)14-22(18-4-2-1-3-5-18)27(25,26)19-12-8-16(9-13-19)20(23)24/h6-13,18H,1-5,14H2,(H,23,24)
InChIKeyDNFPSGLJSATSFM-UHFFFAOYSA-N
MW391.46 g/mol
LogP4.05
Rot. Bonds6

About 4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid

4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid (PubChem CID 1169529) has the molecular formula C20H22FNO4S and a molecular weight of 391.46 g/mol. Its IUPAC name is 4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid
PubChem CID1169529
Molecular FormulaC20H22FNO4S
Molecular Weight391.46 g/mol
Exact Mass391.13
IUPAC Name4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C20H22FNO4S/c21-17-10-6-15(7-11-17)14-22(18-4-2-1-3-5-18)27(25,26)19-12-8-16(9-13-19)20(23)24/h6-13,18H,1-5,14H2,(H,23,24)
InChIKeyDNFPSGLJSATSFM-UHFFFAOYSA-N
XLogP4.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid (CID 1169529) is 4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1.
What is the InChIKey of 4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid?
The InChIKey is DNFPSGLJSATSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4S/c21-17-10-6-15(7-11-17)14-22(18-4-2-1-3-5-18)27(25,26)19-12-8-16(9-13-19)20(23)24/h6-13,18H,1-5,14H2,(H,23,24).
What are the key properties of 4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid?
4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid has a molecular weight of 391.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 1169529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).