3-benzylsulfonylpropanamide;hydrochloride

C10H14ClNO3S — CID 142652348

IUPAC3-benzylsulfonylpropanamide;hydrochloride
SMILESCl.NC(=O)CCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H13NO3S.ClH/c11-10(12)6-7-15(13,14)8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H2,11,12);1H
InChIKeySEGYXMNFKZTFQU-UHFFFAOYSA-N
MW263.75 g/mol
LogP0.90
Rot. Bonds5

About 3-benzylsulfonylpropanamide;hydrochloride

3-benzylsulfonylpropanamide;hydrochloride (PubChem CID 142652348) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 3-benzylsulfonylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-benzylsulfonylpropanamide;hydrochloride
PubChem CID142652348
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name3-benzylsulfonylpropanamide;hydrochloride
SMILESCl.NC(=O)CCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H13NO3S.ClH/c11-10(12)6-7-15(13,14)8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H2,11,12);1H
InChIKeySEGYXMNFKZTFQU-UHFFFAOYSA-N
XLogP0.90
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonylpropanamide;hydrochloride?
The IUPAC name of 3-benzylsulfonylpropanamide;hydrochloride (CID 142652348) is 3-benzylsulfonylpropanamide;hydrochloride.
What is the SMILES notation for 3-benzylsulfonylpropanamide;hydrochloride?
The canonical SMILES for 3-benzylsulfonylpropanamide;hydrochloride is Cl.NC(=O)CCS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 3-benzylsulfonylpropanamide;hydrochloride?
The InChIKey is SEGYXMNFKZTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S.ClH/c11-10(12)6-7-15(13,14)8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H2,11,12);1H.
What are the key properties of 3-benzylsulfonylpropanamide;hydrochloride?
3-benzylsulfonylpropanamide;hydrochloride has a molecular weight of 263.75 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonylpropanamide;hydrochloride is sourced from PubChem (CID 142652348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).