4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid

C13H14N2O5S — CID 102930942

IUPAC4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid
SMILESCN(Cc1ccco1)S(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C13H14N2O5S/c1-15(8-10-3-2-6-20-10)21(18,19)12-7-9(14)4-5-11(12)13(16)17/h2-7H,8,14H2,1H3,(H,16,17)
InChIKeyCSUHTUYUMKQEPO-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.38
Rot. Bonds5

About 4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid

4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid (PubChem CID 102930942) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid
PubChem CID102930942
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid
SMILESCN(Cc1ccco1)S(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C13H14N2O5S/c1-15(8-10-3-2-6-20-10)21(18,19)12-7-9(14)4-5-11(12)13(16)17/h2-7H,8,14H2,1H3,(H,16,17)
InChIKeyCSUHTUYUMKQEPO-UHFFFAOYSA-N
XLogP1.38
TPSA113.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
CID 102930878
4-amino-2-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 102930944
4-amino-2-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 102931253
4-amino-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930931
4-amino-2-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102931062
4-amino-2-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 102931570
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43526876
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
4-amino-2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 102931220
4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid (CID 102930942) is 4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid is CN(Cc1ccco1)S(=O)(=O)c1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is CSUHTUYUMKQEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-15(8-10-3-2-6-20-10)21(18,19)12-7-9(14)4-5-11(12)13(16)17/h2-7H,8,14H2,1H3,(H,16,17).
What are the key properties of 4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid?
4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 310.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 102930942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).