5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide

C14H20N2O4S — CID 106956107

IUPAC5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide
SMILESCS(=O)(=O)C1CCCC(Oc2ccc(N)cc2C(N)=O)C1
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)11-4-2-3-10(8-11)20-13-6-5-9(15)7-12(13)14(16)17/h5-7,10-11H,2-4,8,15H2,1H3,(H2,16,17)
InChIKeyYIWFGGJNLBEURJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.10
Rot. Bonds4

About 5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide

5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide (PubChem CID 106956107) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide.

Molecular Properties

Compound Name5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide
PubChem CID106956107
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide
SMILESCS(=O)(=O)C1CCCC(Oc2ccc(N)cc2C(N)=O)C1
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)11-4-2-3-10(8-11)20-13-6-5-9(15)7-12(13)14(16)17/h5-7,10-11H,2-4,8,15H2,1H3,(H2,16,17)
InChIKeyYIWFGGJNLBEURJ-UHFFFAOYSA-N
XLogP1.10
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-cyclohexyloxybenzamide
CID 55125066
5-fluoro-2-(3-methylsulfonylcyclohexyl)oxybenzoic acid
CID 115297907
1-[5-amino-2-(3-methylcyclohexyl)oxyphenyl]ethanone
CID 116541096
5-amino-2-(3-hydroxycyclohexyl)oxybenzoic acid
CID 117096010
2-fluoro-6-(3-methylsulfonylcyclohexyl)oxybenzoic acid
CID 107013979
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
CID 106955060
(1S)-1-[4-bromo-2-(3-methylsulfonylcyclohexyl)oxyphenyl]ethanamine
CID 102946952
5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341713
1-[3-fluoro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 107686626
5-amino-2-(4-oxocyclohexyl)oxybenzoic acid
CID 117096019
5-amino-2-(3-methylsulfonylpropoxy)benzamide
CID 106956095
5-amino-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzoic acid
CID 117096026

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide?
The IUPAC name of 5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide (CID 106956107) is 5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide.
What is the SMILES notation for 5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide?
The canonical SMILES for 5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide is CS(=O)(=O)C1CCCC(Oc2ccc(N)cc2C(N)=O)C1.
What is the InChIKey of 5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide?
The InChIKey is YIWFGGJNLBEURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-21(18,19)11-4-2-3-10(8-11)20-13-6-5-9(15)7-12(13)14(16)17/h5-7,10-11H,2-4,8,15H2,1H3,(H2,16,17).
What are the key properties of 5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide?
5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide has a molecular weight of 312.39 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methylsulfonylcyclohexyl)oxybenzamide is sourced from PubChem (CID 106956107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).