4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide

C15H16ClNO3S — CID 96566891

IUPAC4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c16-14-6-8-15(9-7-14)21(18,19)17-10-11-20-12-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeyFCDQAAYBLGVKBR-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.84
Rot. Bonds7

About 4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide

4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide (PubChem CID 96566891) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide
PubChem CID96566891
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c16-14-6-8-15(9-7-14)21(18,19)17-10-11-20-12-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeyFCDQAAYBLGVKBR-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.84
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-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide (CID 96566891) is 4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide is O=S(=O)(NCCOCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The InChIKey is FCDQAAYBLGVKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c16-14-6-8-15(9-7-14)21(18,19)17-10-11-20-12-13-4-2-1-3-5-13/h1-9,17H,10-12H2.
What are the key properties of 4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide?
4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenylmethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 96566891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).