2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid

C11H10ClNO5S2 — CID 166261054

IUPAC2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCc2occc2C(=O)O)sc1Cl
InChIInChI=1S/C11H10ClNO5S2/c1-6-4-9(19-10(6)12)20(16,17)13-5-8-7(11(14)15)2-3-18-8/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyJOEUYYCCBFBDFT-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.48
Rot. Bonds5

About 2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid

2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid (PubChem CID 166261054) has the molecular formula C11H10ClNO5S2 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid
PubChem CID166261054
Molecular FormulaC11H10ClNO5S2
Molecular Weight335.79 g/mol
Exact Mass334.97
IUPAC Name2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCc2occc2C(=O)O)sc1Cl
InChIInChI=1S/C11H10ClNO5S2/c1-6-4-9(19-10(6)12)20(16,17)13-5-8-7(11(14)15)2-3-18-8/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyJOEUYYCCBFBDFT-UHFFFAOYSA-N
XLogP2.48
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 103099599
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 104654476
5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 119046080
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 103099620
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 103100630
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 103099828
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid (CID 166261054) is 2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid is Cc1cc(S(=O)(=O)NCc2occc2C(=O)O)sc1Cl.
What is the InChIKey of 2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid?
The InChIKey is JOEUYYCCBFBDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO5S2/c1-6-4-9(19-10(6)12)20(16,17)13-5-8-7(11(14)15)2-3-18-8/h2-4,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid?
2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid has a molecular weight of 335.79 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 166261054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).