2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide

C17H21NO5S — CID 39845568

IUPAC2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2ccccc2O)c(OCC)cc1C
InChIInChI=1S/C17H21NO5S/c1-4-22-15-11-17(16(23-5-2)10-12(15)3)24(20,21)18-13-8-6-7-9-14(13)19/h6-11,18-19H,4-5H2,1-3H3
InChIKeyUUDVSRXGXUFJAR-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.30
Rot. Bonds7

About 2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide

2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 39845568) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is 2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
PubChem CID39845568
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2ccccc2O)c(OCC)cc1C
InChIInChI=1S/C17H21NO5S/c1-4-22-15-11-17(16(23-5-2)10-12(15)3)24(20,21)18-13-8-6-7-9-14(13)19/h6-11,18-19H,4-5H2,1-3H3
InChIKeyUUDVSRXGXUFJAR-UHFFFAOYSA-N
XLogP3.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide
CID 136574217
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 163343274
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide
CID 7574411

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide (CID 39845568) is 2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide is CCOc1cc(S(=O)(=O)Nc2ccccc2O)c(OCC)cc1C.
What is the InChIKey of 2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is UUDVSRXGXUFJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-4-22-15-11-17(16(23-5-2)10-12(15)3)24(20,21)18-13-8-6-7-9-14(13)19/h6-11,18-19H,4-5H2,1-3H3.
What are the key properties of 2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 39845568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).