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

C18H17NO3S — CID 746362

IUPACN-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1
InChIInChI=1S/C18H17NO3S/c1-12-7-8-13(2)18(11-12)23(21,22)19-16-9-10-17(20)15-6-4-3-5-14(15)16/h3-11,19-20H,1-2H3
InChIKeySEBVJYWOFMIHFC-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.96
Rot. Bonds3

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

N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 746362) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID746362
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1
InChIInChI=1S/C18H17NO3S/c1-12-7-8-13(2)18(11-12)23(21,22)19-16-9-10-17(20)15-6-4-3-5-14(15)16/h3-11,19-20H,1-2H3
InChIKeySEBVJYWOFMIHFC-UHFFFAOYSA-N
XLogP3.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.96
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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Related Compounds

Benzenesulfonic acid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
CID 135513128
1-Naphthalenesulfonic acid, 4-amino-5-hydroxy-
CID 6752
8-Amino-4-hydroxynaphthalene-2-sulphonic acid
CID 68106
Benzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl-
CID 104703
N-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide
CID 1073704
4-fluoro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzene-1-sulfonamide
CID 1073705
Benzenesulfonic acid, 4-(2-(4-hydroxy-1-naphthalenyl)diazenyl)-
CID 10656
ATG12-ATG3 inhibitor 1
CID 746288
N-(4-hydroxy-1-naphthyl)-4-methoxybenzenesulfonamide
CID 871185
4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 1106000
2-[1-Hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 6710564
Pcmd-CC-pab-245
CID 16738608

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide (CID 746362) is N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1.
What is the InChIKey of N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is SEBVJYWOFMIHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-12-7-8-13(2)18(11-12)23(21,22)19-16-9-10-17(20)15-6-4-3-5-14(15)16/h3-11,19-20H,1-2H3.
What are the key properties of N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide?
N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 746362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).