N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide

C12H9Cl2NO4S — CID 91649147

IUPACN-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide
SMILESO=C(Cc1ccoc1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2NO4S/c13-9-4-10(14)6-11(5-9)20(17,18)15-12(16)3-8-1-2-19-7-8/h1-2,4-7H,3H2,(H,15,16)
InChIKeySDSVBFMPBFKUND-UHFFFAOYSA-N
MW334.18 g/mol
LogP2.63
Rot. Bonds4

About N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide

N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide (PubChem CID 91649147) has the molecular formula C12H9Cl2NO4S and a molecular weight of 334.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide
PubChem CID91649147
Molecular FormulaC12H9Cl2NO4S
Molecular Weight334.18 g/mol
Exact Mass332.96
IUPAC NameN-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide
SMILESO=C(Cc1ccoc1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2NO4S/c13-9-4-10(14)6-11(5-9)20(17,18)15-12(16)3-8-1-2-19-7-8/h1-2,4-7H,3H2,(H,15,16)
InChIKeySDSVBFMPBFKUND-UHFFFAOYSA-N
XLogP2.63
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide (CID 91649147) is N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide is O=C(Cc1ccoc1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide?
The InChIKey is SDSVBFMPBFKUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4S/c13-9-4-10(14)6-11(5-9)20(17,18)15-12(16)3-8-1-2-19-7-8/h1-2,4-7H,3H2,(H,15,16).
What are the key properties of N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide?
N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide has a molecular weight of 334.18 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)sulfonyl-2-(furan-3-yl)acetamide is sourced from PubChem (CID 91649147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).