4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

C15H21NO5S — CID 705735

IUPAC4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NCC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C15H21NO5S/c1-21-13-6-8-14(9-7-13)22(19,20)16-10-11-2-4-12(5-3-11)15(17)18/h6-9,11-12,16H,2-5,10H2,1H3,(H,17,18)
InChIKeyYFLHPSZYOOQOHT-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.86
Rot. Bonds6

About 4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 705735) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID705735
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NCC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C15H21NO5S/c1-21-13-6-8-14(9-7-13)22(19,20)16-10-11-2-4-12(5-3-11)15(17)18/h6-9,11-12,16H,2-5,10H2,1H3,(H,17,18)
InChIKeyYFLHPSZYOOQOHT-UHFFFAOYSA-N
XLogP1.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (CID 705735) is 4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is COc1ccc(S(=O)(=O)NCC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YFLHPSZYOOQOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-21-13-6-8-14(9-7-13)22(19,20)16-10-11-2-4-12(5-3-11)15(17)18/h6-9,11-12,16H,2-5,10H2,1H3,(H,17,18).
What are the key properties of 4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 327.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 705735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).