4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide

C19H16ClNO3S — CID 10523413

IUPAC4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C19H16ClNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
InChIKeyYHPIWFZVGYDONZ-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.33
Rot. Bonds4

About 4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide

4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 10523413) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID10523413
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C19H16ClNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
InChIKeyYHPIWFZVGYDONZ-UHFFFAOYSA-N
XLogP4.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide (CID 10523413) is 4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is YHPIWFZVGYDONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23).
What are the key properties of 4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide?
4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 373.86 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10523413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).