5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride

C11H17ClN2O4S2 — CID 114611553

IUPAC5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
SMILESCC(C)n1cc(S(=O)(=O)Cl)cc1C(=O)NCCS(C)=O
InChIInChI=1S/C11H17ClN2O4S2/c1-8(2)14-7-9(20(12,17)18)6-10(14)11(15)13-4-5-19(3)16/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyOWAUBSQRKUUEBH-UHFFFAOYSA-N
MW340.85 g/mol
LogP1.10
Rot. Bonds6

About 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride

5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride (PubChem CID 114611553) has the molecular formula C11H17ClN2O4S2 and a molecular weight of 340.85 g/mol. Its IUPAC name is 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
PubChem CID114611553
Molecular FormulaC11H17ClN2O4S2
Molecular Weight340.85 g/mol
Exact Mass340.03
IUPAC Name5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
SMILESCC(C)n1cc(S(=O)(=O)Cl)cc1C(=O)NCCS(C)=O
InChIInChI=1S/C11H17ClN2O4S2/c1-8(2)14-7-9(20(12,17)18)6-10(14)11(15)13-4-5-19(3)16/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyOWAUBSQRKUUEBH-UHFFFAOYSA-N
XLogP1.10
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride 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

1-propan-2-yl-5-(2-propan-2-yloxyethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611509
5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611549
1-methyl-5-(3-methylsulfinylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 113488381
5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611211
5-(3-methylsulfinylpropylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611587
5-(4-methoxybutan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611438
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611595
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
4-chloro-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62659651
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367473

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride (CID 114611553) is 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride is CC(C)n1cc(S(=O)(=O)Cl)cc1C(=O)NCCS(C)=O.
What is the InChIKey of 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
The InChIKey is OWAUBSQRKUUEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4S2/c1-8(2)14-7-9(20(12,17)18)6-10(14)11(15)13-4-5-19(3)16/h6-8H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride has a molecular weight of 340.85 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).