N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide

C24H19NO3S — CID 177371941

IUPACN-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19NO3S/c26-24(21-12-10-20(11-13-21)18-6-2-1-3-7-18)17-25-29(27,28)23-15-14-19-8-4-5-9-22(19)16-23/h1-16,25H,17H2
InChIKeyLTNRNMURGXOMMG-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.67
Rot. Bonds6

About N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide

N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide (PubChem CID 177371941) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide
PubChem CID177371941
Molecular FormulaC24H19NO3S
Molecular Weight401.49 g/mol
Exact Mass401.11
IUPAC NameN-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19NO3S/c26-24(21-12-10-20(11-13-21)18-6-2-1-3-7-18)17-25-29(27,28)23-15-14-19-8-4-5-9-22(19)16-23/h1-16,25H,17H2
InChIKeyLTNRNMURGXOMMG-UHFFFAOYSA-N
XLogP4.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide (CID 177371941) is N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is LTNRNMURGXOMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3S/c26-24(21-12-10-20(11-13-21)18-6-2-1-3-7-18)17-25-29(27,28)23-15-14-19-8-4-5-9-22(19)16-23/h1-16,25H,17H2.
What are the key properties of N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide?
N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 401.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 177371941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).