2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide

C20H18ClNO4S — CID 23217422

IUPAC2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(OC)c1Cl
InChIInChI=1S/C20H18ClNO4S/c1-25-17-11-13(12-18(26-2)20(17)21)14-7-3-4-8-15(14)16-9-5-6-10-19(16)27(22,23)24/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyNABWCABBIHCMGB-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.34
Rot. Bonds5

About 2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide

2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 23217422) has the molecular formula C20H18ClNO4S and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide
PubChem CID23217422
Molecular FormulaC20H18ClNO4S
Molecular Weight403.89 g/mol
Exact Mass403.06
IUPAC Name2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(OC)c1Cl
InChIInChI=1S/C20H18ClNO4S/c1-25-17-11-13(12-18(26-2)20(17)21)14-7-3-4-8-15(14)16-9-5-6-10-19(16)27(22,23)24/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyNABWCABBIHCMGB-UHFFFAOYSA-N
XLogP4.34
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide (CID 23217422) is 2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide is COc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(OC)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is NABWCABBIHCMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4S/c1-25-17-11-13(12-18(26-2)20(17)21)14-7-3-4-8-15(14)16-9-5-6-10-19(16)27(22,23)24/h3-12H,1-2H3,(H2,22,23,24).
What are the key properties of 2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide?
2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 403.89 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23217422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).