methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate

C27H28FNO5S — CID 167476700

IUPACmethyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)c(F)c2)c(OC)c1
InChIInChI=1S/C27H28FNO5S/c1-33-26-16-21(27(30)34-2)12-15-25(26)29-35(31,32)22-13-14-23(24(28)17-22)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-18,29H,3-7H2,1-2H3
InChIKeyVANQQONFKDIJTK-UHFFFAOYSA-N
MW497.59 g/mol
LogP6.14
Rot. Bonds7

About methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate

methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate (PubChem CID 167476700) has the molecular formula C27H28FNO5S and a molecular weight of 497.59 g/mol. Its IUPAC name is methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate
PubChem CID167476700
Molecular FormulaC27H28FNO5S
Molecular Weight497.59 g/mol
Exact Mass497.17
IUPAC Namemethyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)c(F)c2)c(OC)c1
InChIInChI=1S/C27H28FNO5S/c1-33-26-16-21(27(30)34-2)12-15-25(26)29-35(31,32)22-13-14-23(24(28)17-22)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-18,29H,3-7H2,1-2H3
InChIKeyVANQQONFKDIJTK-UHFFFAOYSA-N
XLogP6.14
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate with MolForge

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Related Compounds

methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
4-cyclohexyl-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7940687
4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 7939033
4-[[3-[4-(4,4-difluorocyclohexyl)phenyl]-2-fluorophenyl]sulfonylamino]-3-methoxybenzoic acid
CID 167476551
methyl 5-(4-cyclohexylphenyl)-1H-pyrrole-3-carboxylate
CID 66974561
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221034
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 99816310
4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 40695566
5-chloro-N'-(4-cyclohexylphenyl)sulfonyl-2-methoxybenzohydrazide
CID 8615574
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate?
The IUPAC name of methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate (CID 167476700) is methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)c(F)c2)c(OC)c1.
What is the InChIKey of methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate?
The InChIKey is VANQQONFKDIJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO5S/c1-33-26-16-21(27(30)34-2)12-15-25(26)29-35(31,32)22-13-14-23(24(28)17-22)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-18,29H,3-7H2,1-2H3.
What are the key properties of methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate?
methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate has a molecular weight of 497.59 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate is sourced from PubChem (CID 167476700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).