2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide

C16H17ClN2O4S — CID 2201088

IUPAC2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NCc2ccccc2)cc1OCC(N)=O
InChIInChI=1S/C16H17ClN2O4S/c1-11-7-13(17)15(8-14(11)23-10-16(18)20)24(21,22)19-9-12-5-3-2-4-6-12/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyRUMKPARUYCJKNT-UHFFFAOYSA-N
MW368.84 g/mol
LogP1.99
Rot. Bonds7

About 2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide

2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide (PubChem CID 2201088) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide
PubChem CID2201088
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NCc2ccccc2)cc1OCC(N)=O
InChIInChI=1S/C16H17ClN2O4S/c1-11-7-13(17)15(8-14(11)23-10-16(18)20)24(21,22)19-9-12-5-3-2-4-6-12/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyRUMKPARUYCJKNT-UHFFFAOYSA-N
XLogP1.99
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide?
The IUPAC name of 2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide (CID 2201088) is 2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide.
What is the SMILES notation for 2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide?
The canonical SMILES for 2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)NCc2ccccc2)cc1OCC(N)=O.
What is the InChIKey of 2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide?
The InChIKey is RUMKPARUYCJKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-11-7-13(17)15(8-14(11)23-10-16(18)20)24(21,22)19-9-12-5-3-2-4-6-12/h2-8,19H,9-10H2,1H3,(H2,18,20).
What are the key properties of 2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide?
2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide has a molecular weight of 368.84 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(benzylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide is sourced from PubChem (CID 2201088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).