N-(2-benzoyl-4-chlorophenyl)methanesulfonamide

C14H12ClNO3S — CID 706812

IUPACN-(2-benzoyl-4-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO3S/c1-20(18,19)16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyUBKLURQWFYULNC-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.94
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)methanesulfonamide

N-(2-benzoyl-4-chlorophenyl)methanesulfonamide (PubChem CID 706812) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)methanesulfonamide
PubChem CID706812
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC NameN-(2-benzoyl-4-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO3S/c1-20(18,19)16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyUBKLURQWFYULNC-UHFFFAOYSA-N
XLogP2.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)methanesulfonamide (CID 706812) is N-(2-benzoyl-4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)methanesulfonamide?
The InChIKey is UBKLURQWFYULNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-20(18,19)16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)methanesulfonamide?
N-(2-benzoyl-4-chlorophenyl)methanesulfonamide has a molecular weight of 309.77 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 706812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).