N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide

C13H11Cl2NO3S — CID 2843321

IUPACN-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C13H11Cl2NO3S/c1-19-12-2-4-13(5-3-12)20(17,18)16-11-7-9(14)6-10(15)8-11/h2-8,16H,1H3
InChIKeyIQWHRDCBWAYULV-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.80
Rot. Bonds4

About N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide

N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 2843321) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide
PubChem CID2843321
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC NameN-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C13H11Cl2NO3S/c1-19-12-2-4-13(5-3-12)20(17,18)16-11-7-9(14)6-10(15)8-11/h2-8,16H,1H3
InChIKeyIQWHRDCBWAYULV-UHFFFAOYSA-N
XLogP3.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide (CID 2843321) is N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is IQWHRDCBWAYULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-19-12-2-4-13(5-3-12)20(17,18)16-11-7-9(14)6-10(15)8-11/h2-8,16H,1H3.
What are the key properties of N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide?
N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2843321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).