3-[(4-chlorophenyl)sulfonylamino]propanamide

C9H11ClN2O3S — CID 2991887

IUPAC3-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O3S/c10-7-1-3-8(4-2-7)16(14,15)12-6-5-9(11)13/h1-4,12H,5-6H2,(H2,11,13)
InChIKeyVJIYOBZCRHJBFY-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.49
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfonylamino]propanamide

3-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 2991887) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID2991887
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O3S/c10-7-1-3-8(4-2-7)16(14,15)12-6-5-9(11)13/h1-4,12H,5-6H2,(H2,11,13)
InChIKeyVJIYOBZCRHJBFY-UHFFFAOYSA-N
XLogP0.49
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]propanamide (CID 2991887) is 3-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]propanamide is NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is VJIYOBZCRHJBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c10-7-1-3-8(4-2-7)16(14,15)12-6-5-9(11)13/h1-4,12H,5-6H2,(H2,11,13).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]propanamide?
3-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 262.72 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2991887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).