N-(benzenesulfonylmethyl)benzamide

C14H13NO3S — CID 786537

IUPACN-(benzenesulfonylmethyl)benzamide
SMILESO=C(NCS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO3S/c16-14(12-7-3-1-4-8-12)15-11-19(17,18)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKeyXHBAKLWXJLCMGA-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.85
Rot. Bonds4

About N-(benzenesulfonylmethyl)benzamide

N-(benzenesulfonylmethyl)benzamide (PubChem CID 786537) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(benzenesulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(benzenesulfonylmethyl)benzamide
PubChem CID786537
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-(benzenesulfonylmethyl)benzamide
SMILESO=C(NCS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO3S/c16-14(12-7-3-1-4-8-12)15-11-19(17,18)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKeyXHBAKLWXJLCMGA-UHFFFAOYSA-N
XLogP1.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonylmethyl)benzamide?
The IUPAC name of N-(benzenesulfonylmethyl)benzamide (CID 786537) is N-(benzenesulfonylmethyl)benzamide.
What is the SMILES notation for N-(benzenesulfonylmethyl)benzamide?
The canonical SMILES for N-(benzenesulfonylmethyl)benzamide is O=C(NCS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzenesulfonylmethyl)benzamide?
The InChIKey is XHBAKLWXJLCMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-14(12-7-3-1-4-8-12)15-11-19(17,18)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16).
What are the key properties of N-(benzenesulfonylmethyl)benzamide?
N-(benzenesulfonylmethyl)benzamide has a molecular weight of 275.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonylmethyl)benzamide is sourced from PubChem (CID 786537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).