2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide

C16H20N2O5S2 — CID 110601340

IUPAC2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C16H20N2O5S2/c1-13-8-9-15(23-2)16(12-13)25(21,22)17-10-11-24(19,20)18-14-6-4-3-5-7-14/h3-9,12,17-18H,10-11H2,1-2H3
InChIKeyGKJFMSBURYUUAJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.72
Rot. Bonds8

About 2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 110601340) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID110601340
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC Name2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C16H20N2O5S2/c1-13-8-9-15(23-2)16(12-13)25(21,22)17-10-11-24(19,20)18-14-6-4-3-5-7-14/h3-9,12,17-18H,10-11H2,1-2H3
InChIKeyGKJFMSBURYUUAJ-UHFFFAOYSA-N
XLogP1.72
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
CID 112986146
N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 121112300
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
CID 8511849
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095698

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide (CID 110601340) is 2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is GKJFMSBURYUUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c1-13-8-9-15(23-2)16(12-13)25(21,22)17-10-11-24(19,20)18-14-6-4-3-5-7-14/h3-9,12,17-18H,10-11H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110601340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).