3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

C15H17NO4S — CID 81265088

IUPAC3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cccc(OCCNS(=O)(=O)c2cccc(O)c2)c1
InChIInChI=1S/C15H17NO4S/c1-12-4-2-6-14(10-12)20-9-8-16-21(18,19)15-7-3-5-13(17)11-15/h2-7,10-11,16-17H,8-9H2,1H3
InChIKeyDXPZWOKYFCMNFP-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.06
Rot. Bonds6

About 3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 81265088) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID81265088
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cccc(OCCNS(=O)(=O)c2cccc(O)c2)c1
InChIInChI=1S/C15H17NO4S/c1-12-4-2-6-14(10-12)20-9-8-16-21(18,19)15-7-3-5-13(17)11-15/h2-7,10-11,16-17H,8-9H2,1H3
InChIKeyDXPZWOKYFCMNFP-UHFFFAOYSA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
methyl 3-[3-(3-methylphenoxy)propylsulfamoyl]benzoate
CID 31769281
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 49237977
N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide
CID 30947686
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[2-(3-methoxyphenoxy)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 34111480
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30867149
2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234461

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (CID 81265088) is 3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is Cc1cccc(OCCNS(=O)(=O)c2cccc(O)c2)c1.
What is the InChIKey of 3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is DXPZWOKYFCMNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-12-4-2-6-14(10-12)20-9-8-16-21(18,19)15-7-3-5-13(17)11-15/h2-7,10-11,16-17H,8-9H2,1H3.
What are the key properties of 3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 81265088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).