N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide

C8H14N2O3S — CID 43501437

IUPACN-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCCCO)c1
InChIInChI=1S/C8H14N2O3S/c1-10-5-3-8(7-10)14(12,13)9-4-2-6-11/h3,5,7,9,11H,2,4,6H2,1H3
InChIKeyWXUNHPQKLJISPI-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.31
Rot. Bonds5

About N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide

N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 43501437) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide
PubChem CID43501437
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCCCO)c1
InChIInChI=1S/C8H14N2O3S/c1-10-5-3-8(7-10)14(12,13)9-4-2-6-11/h3,5,7,9,11H,2,4,6H2,1H3
InChIKeyWXUNHPQKLJISPI-UHFFFAOYSA-N
XLogP-0.31
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide (CID 43501437) is N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)NCCCO)c1.
What is the InChIKey of N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is WXUNHPQKLJISPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-10-5-3-8(7-10)14(12,13)9-4-2-6-11/h3,5,7,9,11H,2,4,6H2,1H3.
What are the key properties of N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide?
N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 43501437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).