N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide

C21H23ClN2O6S — CID 1254809

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H23ClN2O6S/c22-17-11-16(31(26,27)24-14-4-2-1-3-5-14)7-9-18(17)28-12-21(25)23-15-6-8-19-20(10-15)30-13-29-19/h6-11,14,24H,1-5,12-13H2,(H,23,25)
InChIKeyJBFDAURFPMYUQW-UHFFFAOYSA-N
MW466.94 g/mol
LogP3.70
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide (PubChem CID 1254809) has the molecular formula C21H23ClN2O6S and a molecular weight of 466.94 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide
PubChem CID1254809
Molecular FormulaC21H23ClN2O6S
Molecular Weight466.94 g/mol
Exact Mass466.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H23ClN2O6S/c22-17-11-16(31(26,27)24-14-4-2-1-3-5-14)7-9-18(17)28-12-21(25)23-15-6-8-19-20(10-15)30-13-29-19/h6-11,14,24H,1-5,12-13H2,(H,23,25)
InChIKeyJBFDAURFPMYUQW-UHFFFAOYSA-N
XLogP3.70
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide (CID 1254809) is N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The InChIKey is JBFDAURFPMYUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O6S/c22-17-11-16(31(26,27)24-14-4-2-1-3-5-14)7-9-18(17)28-12-21(25)23-15-6-8-19-20(10-15)30-13-29-19/h6-11,14,24H,1-5,12-13H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide has a molecular weight of 466.94 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1254809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).