N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide

C18H19NO3S — CID 11450307

IUPACN-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(O)c3c2C(C)C=CC3)cc1
InChIInChI=1S/C18H19NO3S/c1-12-6-8-14(9-7-12)23(21,22)19-16-10-11-17(20)15-5-3-4-13(2)18(15)16/h3-4,6-11,13,19-20H,5H2,1-2H3
InChIKeyUGUZMWLRVIKMJU-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.72
Rot. Bonds3

About N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide

N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide (PubChem CID 11450307) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide
PubChem CID11450307
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(O)c3c2C(C)C=CC3)cc1
InChIInChI=1S/C18H19NO3S/c1-12-6-8-14(9-7-12)23(21,22)19-16-10-11-17(20)15-5-3-4-13(2)18(15)16/h3-4,6-11,13,19-20H,5H2,1-2H3
InChIKeyUGUZMWLRVIKMJU-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.72
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonamide
CID 169373397
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 154116632
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
[5,6-dimethyl-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-1-yl] trifluoromethanesulfonate
CID 11178992
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 101347129
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
tert-butyl 3-hydroxy-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372622
3-fluoro-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373067
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide (CID 11450307) is N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(O)c3c2C(C)C=CC3)cc1.
What is the InChIKey of N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide?
The InChIKey is UGUZMWLRVIKMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-12-6-8-14(9-7-12)23(21,22)19-16-10-11-17(20)15-5-3-4-13(2)18(15)16/h3-4,6-11,13,19-20H,5H2,1-2H3.
What are the key properties of N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide?
N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 11450307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).