4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide

C15H16ClNO3S — CID 86824925

IUPAC4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide
SMILESCCOCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-2-20-11-12-5-3-4-6-15(12)17-21(18,19)14-9-7-13(16)8-10-14/h3-10,17H,2,11H2,1H3
InChIKeyMONWHKNQNKFTNN-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.68
Rot. Bonds6

About 4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide

4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide (PubChem CID 86824925) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide
PubChem CID86824925
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide
SMILESCCOCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-2-20-11-12-5-3-4-6-15(12)17-21(18,19)14-9-7-13(16)8-10-14/h3-10,17H,2,11H2,1H3
InChIKeyMONWHKNQNKFTNN-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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-(ethoxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide (CID 86824925) is 4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide is CCOCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide?
The InChIKey is MONWHKNQNKFTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-2-20-11-12-5-3-4-6-15(12)17-21(18,19)14-9-7-13(16)8-10-14/h3-10,17H,2,11H2,1H3.
What are the key properties of 4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide?
4-chloro-N-[2-(ethoxymethyl)phenyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.68, 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-(ethoxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 86824925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).