3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide

C15H17NO4S — CID 110294740

IUPAC3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NOCCOc2ccccc2)c1
InChIInChI=1S/C15H17NO4S/c1-13-6-5-9-15(12-13)21(17,18)16-20-11-10-19-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3
InChIKeyDWCICJROIPVEKQ-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.28
Rot. Bonds7

About 3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide

3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide (PubChem CID 110294740) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
PubChem CID110294740
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NOCCOc2ccccc2)c1
InChIInChI=1S/C15H17NO4S/c1-13-6-5-9-15(12-13)21(17,18)16-20-11-10-19-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3
InChIKeyDWCICJROIPVEKQ-UHFFFAOYSA-N
XLogP2.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
CID 110294725
4-[2-[2-[(3-methylphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692437
3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide
CID 110311284
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
2-(3-methylphenoxy)ethyl 4-(methylsulfamoyl)benzoate
CID 46670090
N-(2-phenoxyethoxy)butane-1-sulfonamide
CID 110294712
3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 81265088
(3-methylphenyl) 4-(2-phenoxyethoxy)benzoate
CID 23011970
N-(2-phenoxyethoxy)methanamine
CID 117126931
2-(3-methylphenoxy)ethyl 3-(benzenesulfonamido)benzoate
CID 7571434

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide (CID 110294740) is 3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide is Cc1cccc(S(=O)(=O)NOCCOc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide?
The InChIKey is DWCICJROIPVEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-13-6-5-9-15(12-13)21(17,18)16-20-11-10-19-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3.
What are the key properties of 3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide?
3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 110294740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).