4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride

C11H12Cl2N2O3S — CID 153333841

IUPAC4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride
SMILESCn1cc(S(=O)(=O)NC23CC(C2)C3)c(Cl)c1C(=O)Cl
InChIInChI=1S/C11H12Cl2N2O3S/c1-15-5-7(8(12)9(15)10(13)16)19(17,18)14-11-2-6(3-11)4-11/h5-6,14H,2-4H2,1H3
InChIKeyRMEOPLXYKYLIII-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.89
Rot. Bonds4

About 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride

4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride (PubChem CID 153333841) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride.

Molecular Properties

Compound Name4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride
PubChem CID153333841
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride
SMILESCn1cc(S(=O)(=O)NC23CC(C2)C3)c(Cl)c1C(=O)Cl
InChIInChI=1S/C11H12Cl2N2O3S/c1-15-5-7(8(12)9(15)10(13)16)19(17,18)14-11-2-6(3-11)4-11/h5-6,14H,2-4H2,1H3
InChIKeyRMEOPLXYKYLIII-UHFFFAOYSA-N
XLogP1.89
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride?
The IUPAC name of 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride (CID 153333841) is 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride.
What is the SMILES notation for 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride?
The canonical SMILES for 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride is Cn1cc(S(=O)(=O)NC23CC(C2)C3)c(Cl)c1C(=O)Cl.
What is the InChIKey of 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride?
The InChIKey is RMEOPLXYKYLIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/c1-15-5-7(8(12)9(15)10(13)16)19(17,18)14-11-2-6(3-11)4-11/h5-6,14H,2-4H2,1H3.
What are the key properties of 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride?
4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride has a molecular weight of 323.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride is sourced from PubChem (CID 153333841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).