N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide

C18H17NO5S — CID 1242540

IUPACN-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1
InChIInChI=1S/C18H17NO5S/c1-23-12-7-10-17(24-2)18(11-12)25(21,22)19-15-8-9-16(20)14-6-4-3-5-13(14)15/h3-11,19-20H,1-2H3
InChIKeyRZKVSQRQJQUEKE-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.36
Rot. Bonds5

About N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide

N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 1242540) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID1242540
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC NameN-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1
InChIInChI=1S/C18H17NO5S/c1-23-12-7-10-17(24-2)18(11-12)25(21,22)19-15-8-9-16(20)14-6-4-3-5-13(14)15/h3-11,19-20H,1-2H3
InChIKeyRZKVSQRQJQUEKE-UHFFFAOYSA-N
XLogP3.36
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tti-101
CID 1324494
Benzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl-
CID 104703
N-(4-hydroxynaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide
CID 746288
N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 746362
N-(4-hydroxy-1-naphthyl)-4-methoxybenzenesulfonamide
CID 871185
4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 1106000
[(1-Hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-2-naphthyl)thio]acetic acid
CID 2058961
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 706367
4-ethyl-N-(4-hydroxy-1-naphthyl)benzenesulfonamide
CID 726569
4-fluoro-N-(4-hydroxy-1-naphthyl)benzenesulfonamide
CID 746367
Pcmd-CC-mcm-221
CID 16738589
N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 694880

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide (CID 1242540) is N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1.
What is the InChIKey of N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is RZKVSQRQJQUEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-23-12-7-10-17(24-2)18(11-12)25(21,22)19-15-8-9-16(20)14-6-4-3-5-13(14)15/h3-11,19-20H,1-2H3.
What are the key properties of N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide?
N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 359.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1242540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).