N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide

C13H24N2O3S — CID 107818636

IUPACN-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1c[nH]c(CO)c1
InChIInChI=1S/C13H24N2O3S/c1-3-5-6-11(4-2)8-15-19(17,18)13-7-12(10-16)14-9-13/h7,9,11,14-16H,3-6,8,10H2,1-2H3
InChIKeyOINNFKCQBLJHCH-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.00
Rot. Bonds9

About N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide

N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 107818636) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
PubChem CID107818636
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1c[nH]c(CO)c1
InChIInChI=1S/C13H24N2O3S/c1-3-5-6-11(4-2)8-15-19(17,18)13-7-12(10-16)14-9-13/h7,9,11,14-16H,3-6,8,10H2,1-2H3
InChIKeyOINNFKCQBLJHCH-UHFFFAOYSA-N
XLogP2.00
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide (CID 107818636) is N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide is CCCCC(CC)CNS(=O)(=O)c1c[nH]c(CO)c1.
What is the InChIKey of N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is OINNFKCQBLJHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-5-6-11(4-2)8-15-19(17,18)13-7-12(10-16)14-9-13/h7,9,11,14-16H,3-6,8,10H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 288.41 g/mol, XLogP of 2.00, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 107818636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).