4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide

C19H17NO3S — CID 4671033

IUPAC4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H17NO3S/c1-15-7-13-19(14-8-15)24(21,22)20-16-9-11-18(12-10-16)23-17-5-3-2-4-6-17/h2-14,20H,1H3
InChIKeyZPMHSIDPGHJHKI-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.59
Rot. Bonds5

About 4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide

4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 4671033) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID4671033
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H17NO3S/c1-15-7-13-19(14-8-15)24(21,22)20-16-9-11-18(12-10-16)23-17-5-3-2-4-6-17/h2-14,20H,1H3
InChIKeyZPMHSIDPGHJHKI-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide (CID 4671033) is 4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is ZPMHSIDPGHJHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-15-7-13-19(14-8-15)24(21,22)20-16-9-11-18(12-10-16)23-17-5-3-2-4-6-17/h2-14,20H,1H3.
What are the key properties of 4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide?
4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 4671033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).