2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate

C14H17ClNO5S- — CID 6957749

IUPAC2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
SMILESO=C([O-])COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C14H18ClNO5S/c15-12-8-11(6-7-13(12)21-9-14(17)18)22(19,20)16-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2,(H,17,18)/p-1
InChIKeyMPBJELXDJRFRGU-UHFFFAOYSA-M
MW346.81 g/mol
LogP1.08
Rot. Bonds6

About 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate

2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate (PubChem CID 6957749) has the molecular formula C14H17ClNO5S- and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
PubChem CID6957749
Molecular FormulaC14H17ClNO5S-
Molecular Weight346.81 g/mol
Exact Mass346.05
IUPAC Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
SMILESO=C([O-])COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C14H18ClNO5S/c15-12-8-11(6-7-13(12)21-9-14(17)18)22(19,20)16-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2,(H,17,18)/p-1
InChIKeyMPBJELXDJRFRGU-UHFFFAOYSA-M
XLogP1.08
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1093381
3-chloro-N-cyclohexyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 3934161
methyl 4-[[2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126360795
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 1264165
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 1008134
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1008131
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875153
3-chloro-N-cyclohexyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzenesulfonamide
CID 1254813
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28556105
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 19164445
4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide
CID 25248820

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate?
The IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate (CID 6957749) is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate?
The canonical SMILES for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate is O=C([O-])COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate?
The InChIKey is MPBJELXDJRFRGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18ClNO5S/c15-12-8-11(6-7-13(12)21-9-14(17)18)22(19,20)16-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2,(H,17,18)/p-1.
What are the key properties of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate?
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate has a molecular weight of 346.81 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 6957749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).