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

C9H13ClN2O3S — CID 65366824

IUPAC5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
SMILESCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C9H13ClN2O3S/c1-4-11(2)9(13)8-5-7(6-12(8)3)16(10,14)15/h5-6H,4H2,1-3H3
InChIKeyUIIFQISUVXWJNM-UHFFFAOYSA-N
MW264.73 g/mol
LogP1.04
Rot. Bonds3

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

5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride (PubChem CID 65366824) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
PubChem CID65366824
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
SMILESCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C9H13ClN2O3S/c1-4-11(2)9(13)8-5-7(6-12(8)3)16(10,14)15/h5-6H,4H2,1-3H3
InChIKeyUIIFQISUVXWJNM-UHFFFAOYSA-N
XLogP1.04
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 81074609
5-[3-methoxypropyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366837
5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480
5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367293
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 79005334
2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65396196
4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 51265193
5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611196
1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367473
5-(hexan-3-ylcarbamoyl)-1-methylpyrrole-3-sulfonyl chloride
CID 65367186

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride (CID 65366824) is 5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride is CCN(C)C(=O)c1cc(S(=O)(=O)Cl)cn1C.
What is the InChIKey of 5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The InChIKey is UIIFQISUVXWJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-4-11(2)9(13)8-5-7(6-12(8)3)16(10,14)15/h5-6H,4H2,1-3H3.
What are the key properties of 5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride has a molecular weight of 264.73 g/mol, XLogP of 1.04, 3 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-methylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65366824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).