2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide

C16H16ClNO3S — CID 2210190

IUPAC2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H16ClNO3S/c17-15-9-5-4-8-14(15)10-18-16(19)12-22(20,21)11-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyHEIJFSRMWCGJTO-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.57
Rot. Bonds6

About 2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide

2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 2210190) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID2210190
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H16ClNO3S/c17-15-9-5-4-8-14(15)10-18-16(19)12-22(20,21)11-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyHEIJFSRMWCGJTO-UHFFFAOYSA-N
XLogP2.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide (CID 2210190) is 2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide is O=C(CS(=O)(=O)Cc1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of 2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is HEIJFSRMWCGJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-15-9-5-4-8-14(15)10-18-16(19)12-22(20,21)11-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of 2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide?
2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 337.83 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 2210190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).