N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide

C23H21NO3S — CID 58883559

IUPACN-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2c1CCCC2
InChIInChI=1S/C23H21NO3S/c25-23(20-15-8-10-17-9-4-5-13-19(17)20)21-14-6-7-16-22(21)24-28(26,27)18-11-2-1-3-12-18/h1-3,6-8,10-12,14-16,24H,4-5,9,13H2
InChIKeyWEKODYHYJQSITB-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.60
Rot. Bonds5

About N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide

N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 58883559) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID58883559
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC NameN-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2c1CCCC2
InChIInChI=1S/C23H21NO3S/c25-23(20-15-8-10-17-9-4-5-13-19(17)20)21-14-6-7-16-22(21)24-28(26,27)18-11-2-1-3-12-18/h1-3,6-8,10-12,14-16,24H,4-5,9,13H2
InChIKeyWEKODYHYJQSITB-UHFFFAOYSA-N
XLogP4.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide (CID 58883559) is N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2c1CCCC2.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is WEKODYHYJQSITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c25-23(20-15-8-10-17-9-4-5-13-19(17)20)21-14-6-7-16-22(21)24-28(26,27)18-11-2-1-3-12-18/h1-3,6-8,10-12,14-16,24H,4-5,9,13H2.
What are the key properties of N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide?
N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 58883559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).