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

C14H21ClN2O3S — CID 114611549

IUPAC5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
SMILESCC(C)n1cc(S(=O)(=O)Cl)cc1C(=O)NCCC1CCC1
InChIInChI=1S/C14H21ClN2O3S/c1-10(2)17-9-12(21(15,19)20)8-13(17)14(18)16-7-6-11-4-3-5-11/h8-11H,3-7H2,1-2H3,(H,16,18)
InChIKeyRJIJREVABAHSIU-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.92
Rot. Bonds6

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

5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride (PubChem CID 114611549) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
PubChem CID114611549
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
SMILESCC(C)n1cc(S(=O)(=O)Cl)cc1C(=O)NCCC1CCC1
InChIInChI=1S/C14H21ClN2O3S/c1-10(2)17-9-12(21(15,19)20)8-13(17)14(18)16-7-6-11-4-3-5-11/h8-11H,3-7H2,1-2H3,(H,16,18)
InChIKeyRJIJREVABAHSIU-UHFFFAOYSA-N
XLogP2.92
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-cyclopentylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54932690
1-propan-2-yl-5-(2-propan-2-yloxyethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611509
5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611553
4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63628711
5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611211
5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200
5-(4-methoxybutan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611438
1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610992
5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611207
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611595

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride (CID 114611549) is 5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride is CC(C)n1cc(S(=O)(=O)Cl)cc1C(=O)NCCC1CCC1.
What is the InChIKey of 5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
The InChIKey is RJIJREVABAHSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10(2)17-9-12(21(15,19)20)8-13(17)14(18)16-7-6-11-4-3-5-11/h8-11H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride has a molecular weight of 332.85 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).