N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide

C12H14N2O3S2 — CID 59411382

IUPACN-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide
SMILESCCn1cc(N(C)S(=O)(=O)c2cccs2)cc1C=O
InChIInChI=1S/C12H14N2O3S2/c1-3-14-8-10(7-11(14)9-15)13(2)19(16,17)12-5-4-6-18-12/h4-9H,3H2,1-2H3
InChIKeyBJRBJHXJCPOVLZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.21
Rot. Bonds5

About N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide

N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide (PubChem CID 59411382) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide
PubChem CID59411382
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide
SMILESCCn1cc(N(C)S(=O)(=O)c2cccs2)cc1C=O
InChIInChI=1S/C12H14N2O3S2/c1-3-14-8-10(7-11(14)9-15)13(2)19(16,17)12-5-4-6-18-12/h4-9H,3H2,1-2H3
InChIKeyBJRBJHXJCPOVLZ-UHFFFAOYSA-N
XLogP2.21
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide (CID 59411382) is N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide is CCn1cc(N(C)S(=O)(=O)c2cccs2)cc1C=O.
What is the InChIKey of N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide?
The InChIKey is BJRBJHXJCPOVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-3-14-8-10(7-11(14)9-15)13(2)19(16,17)12-5-4-6-18-12/h4-9H,3H2,1-2H3.
What are the key properties of N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide?
N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 59411382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).