4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide

C15H16ClNO3S — CID 2831758

IUPAC4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H16ClNO3S/c1-20-15(12-5-3-2-4-6-12)11-17-21(18,19)14-9-7-13(16)8-10-14/h2-10,15,17H,11H2,1H3
InChIKeyOOVRCALCMZPIIT-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.01
Rot. Bonds6

About 4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide

4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide (PubChem CID 2831758) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide
PubChem CID2831758
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H16ClNO3S/c1-20-15(12-5-3-2-4-6-12)11-17-21(18,19)14-9-7-13(16)8-10-14/h2-10,15,17H,11H2,1H3
InChIKeyOOVRCALCMZPIIT-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide (CID 2831758) is 4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide is COC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide?
The InChIKey is OOVRCALCMZPIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-15(12-5-3-2-4-6-12)11-17-21(18,19)14-9-7-13(16)8-10-14/h2-10,15,17H,11H2,1H3.
What are the key properties of 4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide?
4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxy-2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 2831758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).