2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide

C17H15Cl2NO4S2 — CID 122244261

IUPAC2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)c2ccc(-c3ccsc3)o2)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO4S2/c1-10-6-17(13(19)7-12(10)18)26(22,23)20-8-14(21)16-3-2-15(24-16)11-4-5-25-9-11/h2-7,9,14,20-21H,8H2,1H3
InChIKeyOAWQALQZUAWRKZ-UHFFFAOYSA-N
MW432.35 g/mol
LogP4.64
Rot. Bonds6

About 2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide (PubChem CID 122244261) has the molecular formula C17H15Cl2NO4S2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide
PubChem CID122244261
Molecular FormulaC17H15Cl2NO4S2
Molecular Weight432.35 g/mol
Exact Mass430.98
IUPAC Name2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)c2ccc(-c3ccsc3)o2)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO4S2/c1-10-6-17(13(19)7-12(10)18)26(22,23)20-8-14(21)16-3-2-15(24-16)11-4-5-25-9-11/h2-7,9,14,20-21H,8H2,1H3
InChIKeyOAWQALQZUAWRKZ-UHFFFAOYSA-N
XLogP4.64
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide (CID 122244261) is 2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(O)c2ccc(-c3ccsc3)o2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide?
The InChIKey is OAWQALQZUAWRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4S2/c1-10-6-17(13(19)7-12(10)18)26(22,23)20-8-14(21)16-3-2-15(24-16)11-4-5-25-9-11/h2-7,9,14,20-21H,8H2,1H3.
What are the key properties of 2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide has a molecular weight of 432.35 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 122244261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).