4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide

C15H13Cl2NO3S — CID 5013211

IUPAC4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-10(19)12-2-4-15(5-3-12)22(20,21)18-9-11-6-13(16)8-14(17)7-11/h2-8,18H,9H2,1H3
InChIKeyQGTVIGZOBJQOTG-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.67
Rot. Bonds5

About 4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide

4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide (PubChem CID 5013211) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is 4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
PubChem CID5013211
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-10(19)12-2-4-15(5-3-12)22(20,21)18-9-11-6-13(16)8-14(17)7-11/h2-8,18H,9H2,1H3
InChIKeyQGTVIGZOBJQOTG-UHFFFAOYSA-N
XLogP3.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide (CID 5013211) is 4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide?
The InChIKey is QGTVIGZOBJQOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-10(19)12-2-4-15(5-3-12)22(20,21)18-9-11-6-13(16)8-14(17)7-11/h2-8,18H,9H2,1H3.
What are the key properties of 4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide?
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide has a molecular weight of 358.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 5013211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).