5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide

C11H18N2O4S — CID 106002154

IUPAC5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCCC1CCOC1)c1c[nH]c(CO)c1
InChIInChI=1S/C11H18N2O4S/c14-7-10-5-11(6-12-10)18(15,16)13-3-1-9-2-4-17-8-9/h5-6,9,12-14H,1-4,7-8H2
InChIKeyQHQRLWAYNDTPJP-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.21
Rot. Bonds6

About 5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide

5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106002154) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide
PubChem CID106002154
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCCC1CCOC1)c1c[nH]c(CO)c1
InChIInChI=1S/C11H18N2O4S/c14-7-10-5-11(6-12-10)18(15,16)13-3-1-9-2-4-17-8-9/h5-6,9,12-14H,1-4,7-8H2
InChIKeyQHQRLWAYNDTPJP-UHFFFAOYSA-N
XLogP0.21
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide (CID 106002154) is 5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide is O=S(=O)(NCCC1CCOC1)c1c[nH]c(CO)c1.
What is the InChIKey of 5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is QHQRLWAYNDTPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-7-10-5-11(6-12-10)18(15,16)13-3-1-9-2-4-17-8-9/h5-6,9,12-14H,1-4,7-8H2.
What are the key properties of 5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide?
5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106002154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).