4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide

C19H17NO4S — CID 3272891

IUPAC4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H17NO4S/c1-23-16-11-13-19(14-12-16)25(21,22)20-15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-14,20H,1H3
InChIKeyPKIKNNGPVMOVHH-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.29
Rot. Bonds6

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

4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 3272891) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID3272891
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H17NO4S/c1-23-16-11-13-19(14-12-16)25(21,22)20-15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-14,20H,1H3
InChIKeyPKIKNNGPVMOVHH-UHFFFAOYSA-N
XLogP4.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide (CID 3272891) is 4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is PKIKNNGPVMOVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-23-16-11-13-19(14-12-16)25(21,22)20-15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-14,20H,1H3.
What are the key properties of 4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide?
4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3272891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).