2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide

C11H11Cl2N3O3S — CID 25039551

IUPAC2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide
SMILESO=c1[nH]ccn1CCNS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O3S/c12-8-1-2-10(9(13)7-8)20(18,19)15-4-6-16-5-3-14-11(16)17/h1-3,5,7,15H,4,6H2,(H,14,17)
InChIKeyQIPIANPSXANKKA-UHFFFAOYSA-N
MW336.20 g/mol
LogP1.46
Rot. Bonds5

About 2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide

2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 25039551) has the molecular formula C11H11Cl2N3O3S and a molecular weight of 336.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide
PubChem CID25039551
Molecular FormulaC11H11Cl2N3O3S
Molecular Weight336.20 g/mol
Exact Mass334.99
IUPAC Name2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide
SMILESO=c1[nH]ccn1CCNS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O3S/c12-8-1-2-10(9(13)7-8)20(18,19)15-4-6-16-5-3-14-11(16)17/h1-3,5,7,15H,4,6H2,(H,14,17)
InChIKeyQIPIANPSXANKKA-UHFFFAOYSA-N
XLogP1.46
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide (CID 25039551) is 2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide is O=c1[nH]ccn1CCNS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is QIPIANPSXANKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3S/c12-8-1-2-10(9(13)7-8)20(18,19)15-4-6-16-5-3-14-11(16)17/h1-3,5,7,15H,4,6H2,(H,14,17).
What are the key properties of 2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide?
2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 336.20 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 25039551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).