2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide

C9H15ClN4O2S — CID 107651266

IUPAC2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCCl)c1nnc2n1CCC2
InChIInChI=1S/C9H15ClN4O2S/c1-7(13-17(15,16)6-4-10)9-12-11-8-3-2-5-14(8)9/h7,13H,2-6H2,1H3
InChIKeyIFPNVGMRUTZVLP-UHFFFAOYSA-N
MW278.77 g/mol
LogP0.44
Rot. Bonds5

About 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide

2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 107651266) has the molecular formula C9H15ClN4O2S and a molecular weight of 278.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide
PubChem CID107651266
Molecular FormulaC9H15ClN4O2S
Molecular Weight278.77 g/mol
Exact Mass278.06
IUPAC Name2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCCl)c1nnc2n1CCC2
InChIInChI=1S/C9H15ClN4O2S/c1-7(13-17(15,16)6-4-10)9-12-11-8-3-2-5-14(8)9/h7,13H,2-6H2,1H3
InChIKeyIFPNVGMRUTZVLP-UHFFFAOYSA-N
XLogP0.44
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630966
3-bromo-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzenesulfonamide
CID 61217639
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pentan-3-amine
CID 43748148
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61275211
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(methylamino)acetamide
CID 43698146
1-cyclopropyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
CID 43748151
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,1-difluoropropan-2-amine
CID 102869005
2,2-dimethyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propan-1-amine
CID 61325147
2-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 43698134
1-cyclopentyl-3-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]urea
CID 97211815
5-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62964043
2-bromo-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]butanamide
CID 62854306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide (CID 107651266) is 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide is CC(NS(=O)(=O)CCCl)c1nnc2n1CCC2.
What is the InChIKey of 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is IFPNVGMRUTZVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2S/c1-7(13-17(15,16)6-4-10)9-12-11-8-3-2-5-14(8)9/h7,13H,2-6H2,1H3.
What are the key properties of 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide?
2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 278.77 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 107651266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).