2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

C9H11ClN2O3S — CID 1331521

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O3S/c1-12(6-9(11)13)16(14,15)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyBELSOXONAUTRGV-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.45
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 1331521) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID1331521
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O3S/c1-12(6-9(11)13)16(14,15)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyBELSOXONAUTRGV-UHFFFAOYSA-N
XLogP0.45
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (CID 1331521) is 2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is CN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is BELSOXONAUTRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-12(6-9(11)13)16(14,15)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 262.72 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 1331521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).