4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide

C20H19NO3S — CID 3955766

IUPAC4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19NO3S/c1-16-7-13-20(14-8-16)25(22,23)21-18-9-11-19(12-10-18)24-15-17-5-3-2-4-6-17/h2-14,21H,15H2,1H3
InChIKeyIKOCVYWQQREWMR-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.37
Rot. Bonds6

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

4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 3955766) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID3955766
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19NO3S/c1-16-7-13-20(14-8-16)25(22,23)21-18-9-11-19(12-10-18)24-15-17-5-3-2-4-6-17/h2-14,21H,15H2,1H3
InChIKeyIKOCVYWQQREWMR-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.37
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-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide (CID 3955766) is 4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is IKOCVYWQQREWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-16-7-13-20(14-8-16)25(22,23)21-18-9-11-19(12-10-18)24-15-17-5-3-2-4-6-17/h2-14,21H,15H2,1H3.
What are the key properties of 4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3955766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).