N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide

C17H14ClNO5S — CID 140833867

IUPACN-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
SMILESCC1(c2cccc(Cl)c2)OC(NS(=O)(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C17H14ClNO5S/c1-17(11-6-5-7-12(18)10-11)15(21)14(20)16(24-17)19-25(22,23)13-8-3-2-4-9-13/h2-10,19-20H,1H3
InChIKeyNNPAVYLMSXOMPQ-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.86
Rot. Bonds4

About N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide

N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide (PubChem CID 140833867) has the molecular formula C17H14ClNO5S and a molecular weight of 379.82 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
PubChem CID140833867
Molecular FormulaC17H14ClNO5S
Molecular Weight379.82 g/mol
Exact Mass379.03
IUPAC NameN-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
SMILESCC1(c2cccc(Cl)c2)OC(NS(=O)(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C17H14ClNO5S/c1-17(11-6-5-7-12(18)10-11)15(21)14(20)16(24-17)19-25(22,23)13-8-3-2-4-9-13/h2-10,19-20H,1H3
InChIKeyNNPAVYLMSXOMPQ-UHFFFAOYSA-N
XLogP2.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide (CID 140833867) is N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide is CC1(c2cccc(Cl)c2)OC(NS(=O)(=O)c2ccccc2)=C(O)C1=O.
What is the InChIKey of N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide?
The InChIKey is NNPAVYLMSXOMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5S/c1-17(11-6-5-7-12(18)10-11)15(21)14(20)16(24-17)19-25(22,23)13-8-3-2-4-9-13/h2-10,19-20H,1H3.
What are the key properties of N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide?
N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide has a molecular weight of 379.82 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide is sourced from PubChem (CID 140833867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).