4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide

C15H16ClNO3S — CID 2190037

IUPAC4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-11-10-17-21(18,19)15-8-4-13(5-9-15)12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3
InChIKeyOTAZUVMZLFZQFV-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.93
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide

4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 2190037) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID2190037
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-11-10-17-21(18,19)15-8-4-13(5-9-15)12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3
InChIKeyOTAZUVMZLFZQFV-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 2190037) is 4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is OTAZUVMZLFZQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-11-10-17-21(18,19)15-8-4-13(5-9-15)12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide?
4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 2190037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).