4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide

C11H18N2O3S — CID 160802548

IUPAC4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide
SMILESCCc1c(C(C)=O)c(S(N)(=O)=O)c(CC)n1C
InChIInChI=1S/C11H18N2O3S/c1-5-8-10(7(3)14)11(17(12,15)16)9(6-2)13(8)4/h5-6H2,1-4H3,(H2,12,15,16)
InChIKeyKUUGPMKLCZDXKJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.00
Rot. Bonds4

About 4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide

4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide (PubChem CID 160802548) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide
PubChem CID160802548
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide
SMILESCCc1c(C(C)=O)c(S(N)(=O)=O)c(CC)n1C
InChIInChI=1S/C11H18N2O3S/c1-5-8-10(7(3)14)11(17(12,15)16)9(6-2)13(8)4/h5-6H2,1-4H3,(H2,12,15,16)
InChIKeyKUUGPMKLCZDXKJ-UHFFFAOYSA-N
XLogP1.00
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide (CID 160802548) is 4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide is CCc1c(C(C)=O)c(S(N)(=O)=O)c(CC)n1C.
What is the InChIKey of 4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide?
The InChIKey is KUUGPMKLCZDXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-5-8-10(7(3)14)11(17(12,15)16)9(6-2)13(8)4/h5-6H2,1-4H3,(H2,12,15,16).
What are the key properties of 4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide?
4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 160802548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).