N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide

C7H12N2O3S — CID 43501954

IUPACN-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C7H12N2O3S/c1-9-4-2-7(6-9)13(11,12)8-3-5-10/h2,4,6,8,10H,3,5H2,1H3
InChIKeyYYSMMWRWWUTJJF-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.70
Rot. Bonds4

About N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide

N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 43501954) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide
PubChem CID43501954
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC NameN-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C7H12N2O3S/c1-9-4-2-7(6-9)13(11,12)8-3-5-10/h2,4,6,8,10H,3,5H2,1H3
InChIKeyYYSMMWRWWUTJJF-UHFFFAOYSA-N
XLogP-0.70
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide (CID 43501954) is N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is YYSMMWRWWUTJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-9-4-2-7(6-9)13(11,12)8-3-5-10/h2,4,6,8,10H,3,5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide?
N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 204.25 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 43501954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).