5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride

C11H17ClN2O3S — CID 114611119

IUPAC5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
SMILESCCCn1cc(S(=O)(=O)Cl)cc1C(=O)N(C)CC
InChIInChI=1S/C11H17ClN2O3S/c1-4-6-14-8-9(18(12,16)17)7-10(14)11(15)13(3)5-2/h7-8H,4-6H2,1-3H3
InChIKeyBHBHAVOENJZGIQ-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.92
Rot. Bonds5

About 5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride

5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride (PubChem CID 114611119) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
PubChem CID114611119
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
SMILESCCCn1cc(S(=O)(=O)Cl)cc1C(=O)N(C)CC
InChIInChI=1S/C11H17ClN2O3S/c1-4-6-14-8-9(18(12,16)17)7-10(14)11(15)13(3)5-2/h7-8H,4-6H2,1-3H3
InChIKeyBHBHAVOENJZGIQ-UHFFFAOYSA-N
XLogP1.92
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611196
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
ethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611653
N-(cyclopropylmethyl)-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612217
1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611174
N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612236
5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611631
5-(3-methylsulfinylpropylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611587
cyclopentylmethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611828
5-(1-cyclopropylethylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611217
2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 106207038
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride (CID 114611119) is 5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride is CCCn1cc(S(=O)(=O)Cl)cc1C(=O)N(C)CC.
What is the InChIKey of 5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride?
The InChIKey is BHBHAVOENJZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-4-6-14-8-9(18(12,16)17)7-10(14)11(15)13(3)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride?
5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride has a molecular weight of 292.79 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).