N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide

C18H17NO5S2 — CID 2439926

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide
SMILESCCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H17NO5S2/c1-2-25(21,22)15-9-10-18(20)17(12-15)19-26(23,24)16-8-7-13-5-3-4-6-14(13)11-16/h3-12,19-20H,2H2,1H3
InChIKeySMQJRNNUPMLCQY-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.14
Rot. Bonds5

About N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide (PubChem CID 2439926) has the molecular formula C18H17NO5S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide
PubChem CID2439926
Molecular FormulaC18H17NO5S2
Molecular Weight391.47 g/mol
Exact Mass391.05
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide
SMILESCCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H17NO5S2/c1-2-25(21,22)15-9-10-18(20)17(12-15)19-26(23,24)16-8-7-13-5-3-4-6-14(13)11-16/h3-12,19-20H,2H2,1H3
InChIKeySMQJRNNUPMLCQY-UHFFFAOYSA-N
XLogP3.14
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.14
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-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-(3-fluoro-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 150166464
N-(5-hydroxy-2-methoxyphenyl)naphthalene-2-sulfonamide
CID 70792470
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 64899704
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]naphthalene-2-sulfonamide
CID 4826340

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide (CID 2439926) is N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide is CCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide?
The InChIKey is SMQJRNNUPMLCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S2/c1-2-25(21,22)15-9-10-18(20)17(12-15)19-26(23,24)16-8-7-13-5-3-4-6-14(13)11-16/h3-12,19-20H,2H2,1H3.
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide has a molecular weight of 391.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 2439926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).