4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide

C25H22N2O4S — CID 154631937

IUPAC4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H22N2O4S/c1-30-21-13-15-23(16-14-21)32(28,29)27-24-8-5-17-26-25(24)20-9-11-22(12-10-20)31-18-19-6-3-2-4-7-19/h2-17,27H,18H2,1H3
InChIKeyQPDPPDKRHOYDQP-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.14
Rot. Bonds8

About 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide

4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 154631937) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID154631937
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC Name4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H22N2O4S/c1-30-21-13-15-23(16-14-21)32(28,29)27-24-8-5-17-26-25(24)20-9-11-22(12-10-20)31-18-19-6-3-2-4-7-19/h2-17,27H,18H2,1H3
InChIKeyQPDPPDKRHOYDQP-UHFFFAOYSA-N
XLogP5.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide (CID 154631937) is 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is QPDPPDKRHOYDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S/c1-30-21-13-15-23(16-14-21)32(28,29)27-24-8-5-17-26-25(24)20-9-11-22(12-10-20)31-18-19-6-3-2-4-7-19/h2-17,27H,18H2,1H3.
What are the key properties of 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide?
4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 154631937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).