4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide

C18H17NO3S — CID 726569

IUPAC4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C18H17NO3S/c1-2-13-7-9-14(10-8-13)23(21,22)19-17-11-12-18(20)16-6-4-3-5-15(16)17/h3-12,19-20H,2H2,1H3
InChIKeyJJXIILZJBJAPRX-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.91
Rot. Bonds4

About 4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide

4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide (PubChem CID 726569) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
PubChem CID726569
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C18H17NO3S/c1-2-13-7-9-14(10-8-13)23(21,22)19-17-11-12-18(20)16-6-4-3-5-15(16)17/h3-12,19-20H,2H2,1H3
InChIKeyJJXIILZJBJAPRX-UHFFFAOYSA-N
XLogP3.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide (CID 726569) is 4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1.
What is the InChIKey of 4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The InChIKey is JJXIILZJBJAPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-2-13-7-9-14(10-8-13)23(21,22)19-17-11-12-18(20)16-6-4-3-5-15(16)17/h3-12,19-20H,2H2,1H3.
What are the key properties of 4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 726569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).