2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan

C11H10ClN2O5S2- — CID 54291405

IUPAC2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan
SMILESNS(=O)(=O)c1cc(N(Cc2ccco2)S(=O)[O-])ccc1Cl
InChIInChI=1S/C11H11ClN2O5S2/c12-10-4-3-8(6-11(10)21(13,17)18)14(20(15)16)7-9-2-1-5-19-9/h1-6H,7H2,(H,15,16)(H2,13,17,18)/p-1
InChIKeyCIBLTVYXUKQXEV-UHFFFAOYSA-M
MW349.80 g/mol
LogP1.38
Rot. Bonds5

About 2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan

2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan (PubChem CID 54291405) has the molecular formula C11H10ClN2O5S2- and a molecular weight of 349.80 g/mol. Its IUPAC name is 2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan.

Molecular Properties

Compound Name2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan
PubChem CID54291405
Molecular FormulaC11H10ClN2O5S2-
Molecular Weight349.80 g/mol
Exact Mass348.97
IUPAC Name2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan
SMILESNS(=O)(=O)c1cc(N(Cc2ccco2)S(=O)[O-])ccc1Cl
InChIInChI=1S/C11H11ClN2O5S2/c12-10-4-3-8(6-11(10)21(13,17)18)14(20(15)16)7-9-2-1-5-19-9/h1-6H,7H2,(H,15,16)(H2,13,17,18)/p-1
InChIKeyCIBLTVYXUKQXEV-UHFFFAOYSA-M
XLogP1.38
TPSA116.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan?
The IUPAC name of 2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan (CID 54291405) is 2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan.
What is the SMILES notation for 2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan?
The canonical SMILES for 2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan is NS(=O)(=O)c1cc(N(Cc2ccco2)S(=O)[O-])ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan?
The InChIKey is CIBLTVYXUKQXEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11ClN2O5S2/c12-10-4-3-8(6-11(10)21(13,17)18)14(20(15)16)7-9-2-1-5-19-9/h1-6H,7H2,(H,15,16)(H2,13,17,18)/p-1.
What are the key properties of 2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan?
2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan has a molecular weight of 349.80 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan is sourced from PubChem (CID 54291405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).