2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide

C8H13ClN2O2S — CID 106391230

IUPAC2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCCn1cccc1
InChIInChI=1S/C8H13ClN2O2S/c9-3-8-14(12,13)10-4-7-11-5-1-2-6-11/h1-2,5-6,10H,3-4,7-8H2
InChIKeyHMUGEPNJPRYAAJ-UHFFFAOYSA-N
MW236.72 g/mol
LogP0.65
Rot. Bonds6

About 2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide

2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide (PubChem CID 106391230) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is 2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide
PubChem CID106391230
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCCn1cccc1
InChIInChI=1S/C8H13ClN2O2S/c9-3-8-14(12,13)10-4-7-11-5-1-2-6-11/h1-2,5-6,10H,3-4,7-8H2
InChIKeyHMUGEPNJPRYAAJ-UHFFFAOYSA-N
XLogP0.65
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide (CID 106391230) is 2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide is O=S(=O)(CCCl)NCCn1cccc1.
What is the InChIKey of 2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide?
The InChIKey is HMUGEPNJPRYAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S/c9-3-8-14(12,13)10-4-7-11-5-1-2-6-11/h1-2,5-6,10H,3-4,7-8H2.
What are the key properties of 2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide?
2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide has a molecular weight of 236.72 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide is sourced from PubChem (CID 106391230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).