3-(furan-2-ylcarbamoylamino)benzenesulfonic acid

C11H10N2O5S — CID 108868322

IUPAC3-(furan-2-ylcarbamoylamino)benzenesulfonic acid
SMILESO=C(Nc1cccc(S(=O)(=O)O)c1)Nc1ccco1
InChIInChI=1S/C11H10N2O5S/c14-11(13-10-5-2-6-18-10)12-8-3-1-4-9(7-8)19(15,16)17/h1-7H,(H2,12,13,14)(H,15,16,17)
InChIKeyIXGOASQRMRZIGA-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.17
Rot. Bonds3

About 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid

3-(furan-2-ylcarbamoylamino)benzenesulfonic acid (PubChem CID 108868322) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid.

Molecular Properties

Compound Name3-(furan-2-ylcarbamoylamino)benzenesulfonic acid
PubChem CID108868322
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name3-(furan-2-ylcarbamoylamino)benzenesulfonic acid
SMILESO=C(Nc1cccc(S(=O)(=O)O)c1)Nc1ccco1
InChIInChI=1S/C11H10N2O5S/c14-11(13-10-5-2-6-18-10)12-8-3-1-4-9(7-8)19(15,16)17/h1-7H,(H2,12,13,14)(H,15,16,17)
InChIKeyIXGOASQRMRZIGA-UHFFFAOYSA-N
XLogP2.17
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromofuran-2-yl)carbamoylamino]benzenesulfonic acid
CID 108872785
3-[(4-bromophenyl)carbamoylamino]benzenesulfonic acid
CID 108869199
1-(furan-2-yl)-3-(3-methoxyphenyl)urea
CID 108868447
methyl 3-(furan-2-ylcarbamoylamino)benzoate
CID 108868628
1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
CID 108868551
3-[(2,3-dimethylquinoxalin-6-yl)carbamoylamino]benzenesulfonic acid
CID 108885439
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
3-(cyclohexylidenemethylcarbamoylamino)benzenesulfonic acid
CID 108912372
1-(furan-2-yl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991870
1-amino-3-(furan-2-yl)urea
CID 11768663
CID 87937963
CID 87937963
4-hydroxy-7-[[3-[[3-[(5-hydroxy-7-sulfonaphthalen-2-yl)sulfamoyl]phenyl]carbamoylamino]phenyl]sulfonylamino]naphthalene-2-sulfonic acid
CID 54097080

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid?
The IUPAC name of 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid (CID 108868322) is 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid.
What is the SMILES notation for 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid?
The canonical SMILES for 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid is O=C(Nc1cccc(S(=O)(=O)O)c1)Nc1ccco1.
What is the InChIKey of 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid?
The InChIKey is IXGOASQRMRZIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c14-11(13-10-5-2-6-18-10)12-8-3-1-4-9(7-8)19(15,16)17/h1-7H,(H2,12,13,14)(H,15,16,17).
What are the key properties of 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid?
3-(furan-2-ylcarbamoylamino)benzenesulfonic acid has a molecular weight of 282.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylcarbamoylamino)benzenesulfonic acid is sourced from PubChem (CID 108868322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).