N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide

C13H18N2O2S2 — CID 132507887

IUPACN-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide
SMILESCCCCN(c1cccn1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H18N2O2S2/c1-3-4-10-15(12-7-5-9-14(12)2)19(16,17)13-8-6-11-18-13/h5-9,11H,3-4,10H2,1-2H3
InChIKeyIYGRAUTXFRFSDT-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.08
Rot. Bonds6

About N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide

N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide (PubChem CID 132507887) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide
PubChem CID132507887
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC NameN-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide
SMILESCCCCN(c1cccn1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H18N2O2S2/c1-3-4-10-15(12-7-5-9-14(12)2)19(16,17)13-8-6-11-18-13/h5-9,11H,3-4,10H2,1-2H3
InChIKeyIYGRAUTXFRFSDT-UHFFFAOYSA-N
XLogP3.08
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide (CID 132507887) is N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide is CCCCN(c1cccn1C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide?
The InChIKey is IYGRAUTXFRFSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-3-4-10-15(12-7-5-9-14(12)2)19(16,17)13-8-6-11-18-13/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide?
N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide has a molecular weight of 298.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 132507887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).