N-(benzenesulfonylmethyl)acetamide

C9H11NO3S — CID 70230796

IUPACN-(benzenesulfonylmethyl)acetamide
SMILESCC(=O)NCS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO3S/c1-8(11)10-7-14(12,13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)
InChIKeyZIURXYPFCSCBBX-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.55
Rot. Bonds3

About N-(benzenesulfonylmethyl)acetamide

N-(benzenesulfonylmethyl)acetamide (PubChem CID 70230796) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(benzenesulfonylmethyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonylmethyl)acetamide
PubChem CID70230796
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-(benzenesulfonylmethyl)acetamide
SMILESCC(=O)NCS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO3S/c1-8(11)10-7-14(12,13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)
InChIKeyZIURXYPFCSCBBX-UHFFFAOYSA-N
XLogP0.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonylmethyl)acetamide?
The IUPAC name of N-(benzenesulfonylmethyl)acetamide (CID 70230796) is N-(benzenesulfonylmethyl)acetamide.
What is the SMILES notation for N-(benzenesulfonylmethyl)acetamide?
The canonical SMILES for N-(benzenesulfonylmethyl)acetamide is CC(=O)NCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonylmethyl)acetamide?
The InChIKey is ZIURXYPFCSCBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-8(11)10-7-14(12,13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11).
What are the key properties of N-(benzenesulfonylmethyl)acetamide?
N-(benzenesulfonylmethyl)acetamide has a molecular weight of 213.26 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonylmethyl)acetamide is sourced from PubChem (CID 70230796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).