N-(4-phenoxyphenyl)naphthalene-2-sulfonamide

C22H17NO3S — CID 603699

IUPACN-(4-phenoxyphenyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H17NO3S/c24-27(25,22-15-10-17-6-4-5-7-18(17)16-22)23-19-11-13-21(14-12-19)26-20-8-2-1-3-9-20/h1-16,23H
InChIKeyBDDYBFKGGNNRHI-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.43
Rot. Bonds5

About N-(4-phenoxyphenyl)naphthalene-2-sulfonamide

N-(4-phenoxyphenyl)naphthalene-2-sulfonamide (PubChem CID 603699) has the molecular formula C22H17NO3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)naphthalene-2-sulfonamide
PubChem CID603699
Molecular FormulaC22H17NO3S
Molecular Weight375.45 g/mol
Exact Mass375.09
IUPAC NameN-(4-phenoxyphenyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H17NO3S/c24-27(25,22-15-10-17-6-4-5-7-18(17)16-22)23-19-11-13-21(14-12-19)26-20-8-2-1-3-9-20/h1-16,23H
InChIKeyBDDYBFKGGNNRHI-UHFFFAOYSA-N
XLogP5.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(4-phenoxyphenyl)naphthalene-2-sulfonamide (CID 603699) is N-(4-phenoxyphenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-phenoxyphenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(4-phenoxyphenyl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-phenoxyphenyl)naphthalene-2-sulfonamide?
The InChIKey is BDDYBFKGGNNRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3S/c24-27(25,22-15-10-17-6-4-5-7-18(17)16-22)23-19-11-13-21(14-12-19)26-20-8-2-1-3-9-20/h1-16,23H.
What are the key properties of N-(4-phenoxyphenyl)naphthalene-2-sulfonamide?
N-(4-phenoxyphenyl)naphthalene-2-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 603699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).