3-[(4-chlorophenyl)sulfonylmethyl]benzamide

C14H12ClNO3S — CID 2819630

IUPAC3-[(4-chlorophenyl)sulfonylmethyl]benzamide
SMILESNC(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClNO3S/c15-12-4-6-13(7-5-12)20(18,19)9-10-2-1-3-11(8-10)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyQHPDCNKSCFHXBN-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.41
Rot. Bonds4

About 3-[(4-chlorophenyl)sulfonylmethyl]benzamide

3-[(4-chlorophenyl)sulfonylmethyl]benzamide (PubChem CID 2819630) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylmethyl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylmethyl]benzamide
PubChem CID2819630
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name3-[(4-chlorophenyl)sulfonylmethyl]benzamide
SMILESNC(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClNO3S/c15-12-4-6-13(7-5-12)20(18,19)9-10-2-1-3-11(8-10)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyQHPDCNKSCFHXBN-UHFFFAOYSA-N
XLogP2.41
TPSA77.23 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]benzamide (CID 2819630) is 3-[(4-chlorophenyl)sulfonylmethyl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylmethyl]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylmethyl]benzamide is NC(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylmethyl]benzamide?
The InChIKey is QHPDCNKSCFHXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c15-12-4-6-13(7-5-12)20(18,19)9-10-2-1-3-11(8-10)14(16)17/h1-8H,9H2,(H2,16,17).
What are the key properties of 3-[(4-chlorophenyl)sulfonylmethyl]benzamide?
3-[(4-chlorophenyl)sulfonylmethyl]benzamide has a molecular weight of 309.77 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylmethyl]benzamide is sourced from PubChem (CID 2819630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).