N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide

C15H16ClNO3S — CID 3820728

IUPACN-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-14-5-7-15(8-6-14)21(18,19)17-10-9-12-3-2-4-13(16)11-12/h2-8,11,17H,9-10H2,1H3
InChIKeyDGQAOUHLOHJMRF-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide

N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 3820728) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID3820728
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-14-5-7-15(8-6-14)21(18,19)17-10-9-12-3-2-4-13(16)11-12/h2-8,11,17H,9-10H2,1H3
InChIKeyDGQAOUHLOHJMRF-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide (CID 3820728) is N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is DGQAOUHLOHJMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-14-5-7-15(8-6-14)21(18,19)17-10-9-12-3-2-4-13(16)11-12/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide?
N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3820728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).