2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine

C10H12Cl2N2O2S — CID 64608977

IUPAC2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C10H12Cl2N2O2S/c1-7-2-3-14(6-7)17(15,16)8-4-9(11)10(12)13-5-8/h4-5,7H,2-3,6H2,1H3
InChIKeyONMMXJXOXVDSDM-UHFFFAOYSA-N
MW295.19 g/mol
LogP2.42
Rot. Bonds2

About 2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine

2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine (PubChem CID 64608977) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
PubChem CID64608977
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC Name2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C10H12Cl2N2O2S/c1-7-2-3-14(6-7)17(15,16)8-4-9(11)10(12)13-5-8/h4-5,7H,2-3,6H2,1H3
InChIKeyONMMXJXOXVDSDM-UHFFFAOYSA-N
XLogP2.42
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103834699
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 64606820
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-1,4-oxazepane
CID 64608037
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
2-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856893
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine
CID 64623353
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine
CID 110308375
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine
CID 64608987
1-(2-chloropyrimidin-5-yl)sulfonyl-4-methylazepane
CID 55249605
N-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 62146923
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-oxazepane
CID 64608038
3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 82487990

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine?
The IUPAC name of 2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine (CID 64608977) is 2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine is CC1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine?
The InChIKey is ONMMXJXOXVDSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c1-7-2-3-14(6-7)17(15,16)8-4-9(11)10(12)13-5-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine?
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine has a molecular weight of 295.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 64608977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).