N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide

C20H23ClN2O4S — CID 18132099

IUPACN-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-14-7-10-16(28(25,26)22-15-8-9-15)13-17(14)20(24)23(2)11-12-27-19-6-4-3-5-18(19)21/h3-7,10,13,15,22H,8-9,11-12H2,1-2H3
InChIKeyZIYAZLOCYIXTDR-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide

N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 18132099) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID18132099
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-14-7-10-16(28(25,26)22-15-8-9-15)13-17(14)20(24)23(2)11-12-27-19-6-4-3-5-18(19)21/h3-7,10,13,15,22H,8-9,11-12H2,1-2H3
InChIKeyZIYAZLOCYIXTDR-UHFFFAOYSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide (CID 18132099) is N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)CCOc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is ZIYAZLOCYIXTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-7-10-16(28(25,26)22-15-8-9-15)13-17(14)20(24)23(2)11-12-27-19-6-4-3-5-18(19)21/h3-7,10,13,15,22H,8-9,11-12H2,1-2H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide?
N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 422.93 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 18132099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).