N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide

C11H20N2O3S — CID 106288400

IUPACN-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C11H20N2O3S/c1-3-9(4-2)11(14)8-13-17(15,16)10-5-6-12-7-10/h5-7,9,11-14H,3-4,8H2,1-2H3
InChIKeyNJPJQTYTOYQDFE-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.09
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide

N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106288400) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide
PubChem CID106288400
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C11H20N2O3S/c1-3-9(4-2)11(14)8-13-17(15,16)10-5-6-12-7-10/h5-7,9,11-14H,3-4,8H2,1-2H3
InChIKeyNJPJQTYTOYQDFE-UHFFFAOYSA-N
XLogP1.09
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(3-ethyl-2-hydroxypentyl)pyridine-3-sulfonamide
CID 106284185
N-(3-ethyl-2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 114168833
5-ethyl-N-(3-ethyl-2-hydroxypentyl)thiophene-2-sulfonamide
CID 103835206
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114188652
N-(2-hydroxyethyl)-1H-pyrrole-3-sulfonamide
CID 43501955
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide
CID 159847586
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide
CID 115363011
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103835178

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide (CID 106288400) is N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1cc[nH]c1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is NJPJQTYTOYQDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-9(4-2)11(14)8-13-17(15,16)10-5-6-12-7-10/h5-7,9,11-14H,3-4,8H2,1-2H3.
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide?
N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106288400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).