N-(3-phenylmethoxyphenyl)benzenesulfonamide

C19H17NO3S — CID 3681504

IUPACN-(3-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C19H17NO3S/c21-24(22,19-12-5-2-6-13-19)20-17-10-7-11-18(14-17)23-15-16-8-3-1-4-9-16/h1-14,20H,15H2
InChIKeyQAELBQXGTOTZKX-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.07
Rot. Bonds6

About N-(3-phenylmethoxyphenyl)benzenesulfonamide

N-(3-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 3681504) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID3681504
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-(3-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C19H17NO3S/c21-24(22,19-12-5-2-6-13-19)20-17-10-7-11-18(14-17)23-15-16-8-3-1-4-9-16/h1-14,20H,15H2
InChIKeyQAELBQXGTOTZKX-UHFFFAOYSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(3-phenylmethoxyphenyl)benzenesulfonamide (CID 3681504) is N-(3-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-phenylmethoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(OCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is QAELBQXGTOTZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-24(22,19-12-5-2-6-13-19)20-17-10-7-11-18(14-17)23-15-16-8-3-1-4-9-16/h1-14,20H,15H2.
What are the key properties of N-(3-phenylmethoxyphenyl)benzenesulfonamide?
N-(3-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3681504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).