pyrrolidine-3-sulfonamide;hydrochloride

C4H11ClN2O2S — CID 155858501

IUPACpyrrolidine-3-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CCNC1
InChIInChI=1S/C4H10N2O2S.ClH/c5-9(7,8)4-1-2-6-3-4;/h4,6H,1-3H2,(H2,5,7,8);1H
InChIKeyRKEXZIKOTCCWKB-UHFFFAOYSA-N
MW186.66 g/mol
LogP-0.94
Rot. Bonds1

About pyrrolidine-3-sulfonamide;hydrochloride

pyrrolidine-3-sulfonamide;hydrochloride (PubChem CID 155858501) has the molecular formula C4H11ClN2O2S and a molecular weight of 186.66 g/mol. Its IUPAC name is pyrrolidine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Namepyrrolidine-3-sulfonamide;hydrochloride
PubChem CID155858501
Molecular FormulaC4H11ClN2O2S
Molecular Weight186.66 g/mol
Exact Mass186.02
IUPAC Namepyrrolidine-3-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CCNC1
InChIInChI=1S/C4H10N2O2S.ClH/c5-9(7,8)4-1-2-6-3-4;/h4,6H,1-3H2,(H2,5,7,8);1H
InChIKeyRKEXZIKOTCCWKB-UHFFFAOYSA-N
XLogP-0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-3-sulfonamide;hydrochloride?
The IUPAC name of pyrrolidine-3-sulfonamide;hydrochloride (CID 155858501) is pyrrolidine-3-sulfonamide;hydrochloride.
What is the SMILES notation for pyrrolidine-3-sulfonamide;hydrochloride?
The canonical SMILES for pyrrolidine-3-sulfonamide;hydrochloride is Cl.NS(=O)(=O)C1CCNC1.
What is the InChIKey of pyrrolidine-3-sulfonamide;hydrochloride?
The InChIKey is RKEXZIKOTCCWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S.ClH/c5-9(7,8)4-1-2-6-3-4;/h4,6H,1-3H2,(H2,5,7,8);1H.
What are the key properties of pyrrolidine-3-sulfonamide;hydrochloride?
pyrrolidine-3-sulfonamide;hydrochloride has a molecular weight of 186.66 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 155858501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).