1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride

C11H15ClN2O3S — CID 114610909

IUPAC1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCCNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1
InChIInChI=1S/C11H15ClN2O3S/c1-2-5-13-11(15)10-6-9(18(12,16)17)7-14(10)8-3-4-8/h6-8H,2-5H2,1H3,(H,13,15)
InChIKeyVIMNYSJKYXKCSN-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.89
Rot. Bonds5

About 1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride

1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride (PubChem CID 114610909) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
PubChem CID114610909
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCCNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1
InChIInChI=1S/C11H15ClN2O3S/c1-2-5-13-11(15)10-6-9(18(12,16)17)7-14(10)8-3-4-8/h6-8H,2-5H2,1H3,(H,13,15)
InChIKeyVIMNYSJKYXKCSN-UHFFFAOYSA-N
XLogP1.89
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611595
1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611033
1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611340
1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610992
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611191
1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114611971
1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611154
1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611360
1-cyclobutyl-N-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611983
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride (CID 114610909) is 1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride is CCCNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride?
The InChIKey is VIMNYSJKYXKCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-5-13-11(15)10-6-9(18(12,16)17)7-14(10)8-3-4-8/h6-8H,2-5H2,1H3,(H,13,15).
What are the key properties of 1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride?
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride has a molecular weight of 290.77 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114610909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).