5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid

C18H14ClNO5S — CID 91688170

IUPAC5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClNO5S/c1-11-2-7-14(16-8-9-17(25-16)18(21)22)15(10-11)20-26(23,24)13-5-3-12(19)4-6-13/h2-10,20H,1H3,(H,21,22)
InChIKeyPIEAGYXXLJQPJJ-UHFFFAOYSA-N
MW391.83 g/mol
LogP4.41
Rot. Bonds5

About 5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid

5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid (PubChem CID 91688170) has the molecular formula C18H14ClNO5S and a molecular weight of 391.83 g/mol. Its IUPAC name is 5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid
PubChem CID91688170
Molecular FormulaC18H14ClNO5S
Molecular Weight391.83 g/mol
Exact Mass391.03
IUPAC Name5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClNO5S/c1-11-2-7-14(16-8-9-17(25-16)18(21)22)15(10-11)20-26(23,24)13-5-3-12(19)4-6-13/h2-10,20H,1H3,(H,21,22)
InChIKeyPIEAGYXXLJQPJJ-UHFFFAOYSA-N
XLogP4.41
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688117
5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid
CID 91688158
5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid
CID 91679907
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
5-[3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688110
5-[2-(2,2-dimethylpropanoylcarbamothioylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687763
N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169372273
5-[4-[(4-acetamidophenyl)sulfonylamino]-2-methoxyphenyl]furan-2-carboxylic acid
CID 91688093
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
3-[4-[(2-chloro-4-methylphenyl)sulfamoyl]phenyl]propanoic acid
CID 7516441
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
CID 58892095

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid (CID 91688170) is 5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid?
The InChIKey is PIEAGYXXLJQPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5S/c1-11-2-7-14(16-8-9-17(25-16)18(21)22)15(10-11)20-26(23,24)13-5-3-12(19)4-6-13/h2-10,20H,1H3,(H,21,22).
What are the key properties of 5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid?
5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid has a molecular weight of 391.83 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91688170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).