(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane

C11H16ClN3O3S — CID 163464809

IUPAC(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane
SMILESC.NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C10H12ClN3O3S.CH4/c11-9-2-1-8(5-13-9)18(16,17)14-4-3-7(6-14)10(12)15;/h1-2,5,7H,3-4,6H2,(H2,12,15);1H4/t7-;/m1./s1
InChIKeyBRPYPQHGLDPOFX-OGFXRTJISA-N
MW305.79 g/mol
LogP0.87
Rot. Bonds3

About (3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane

(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane (PubChem CID 163464809) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is (3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane.

Molecular Properties

Compound Name(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane
PubChem CID163464809
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane
SMILESC.NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C10H12ClN3O3S.CH4/c11-9-2-1-8(5-13-9)18(16,17)14-4-3-7(6-14)10(12)15;/h1-2,5,7H,3-4,6H2,(H2,12,15);1H4/t7-;/m1./s1
InChIKeyBRPYPQHGLDPOFX-OGFXRTJISA-N
XLogP0.87
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxylate
CID 822460
1-[(6-chloro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperidine-4-carboxamide
CID 175401884
1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide
CID 164885708
1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54941717
methyl 1-[(6-chloro-3-pyridinyl)sulfonyl]azetidine-3-carboxylate
CID 62706978
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
(3S)-N-(2-adamantyl)-1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 89358160
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid
CID 122068541
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
2-chloro-5-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonylpyridine
CID 96566864
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 18170878

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane?
The IUPAC name of (3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane (CID 163464809) is (3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane.
What is the SMILES notation for (3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane?
The canonical SMILES for (3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane is C.NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1.
What is the InChIKey of (3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane?
The InChIKey is BRPYPQHGLDPOFX-OGFXRTJISA-N. The full InChI is InChI=1S/C10H12ClN3O3S.CH4/c11-9-2-1-8(5-13-9)18(16,17)14-4-3-7(6-14)10(12)15;/h1-2,5,7H,3-4,6H2,(H2,12,15);1H4/t7-;/m1./s1.
What are the key properties of (3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane?
(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane has a molecular weight of 305.79 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane is sourced from PubChem (CID 163464809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).