(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile

C10H10ClN3O2S — CID 146541443

IUPAC(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H10ClN3O2S/c11-10-4-3-9(7-13-10)17(15,16)14-5-1-2-8(14)6-12/h3-4,7-8H,1-2,5H2/t8-/m0/s1
InChIKeyVRUWSCQCRLSVPR-QMMMGPOBSA-N
MW271.73 g/mol
LogP1.41
Rot. Bonds2

About (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile

(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile (PubChem CID 146541443) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
PubChem CID146541443
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H10ClN3O2S/c11-10-4-3-9(7-13-10)17(15,16)14-5-1-2-8(14)6-12/h3-4,7-8H,1-2,5H2/t8-/m0/s1
InChIKeyVRUWSCQCRLSVPR-QMMMGPOBSA-N
XLogP1.41
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile 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

1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541445
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
CID 47320753
2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
CID 55040373
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54941717
[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
CID 98794710
[(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305811
1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidine-2-carbonitrile
CID 82854286
3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595218
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
CID 60974393

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile (CID 146541443) is (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile?
The InChIKey is VRUWSCQCRLSVPR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c11-10-4-3-9(7-13-10)17(15,16)14-5-1-2-8(14)6-12/h3-4,7-8H,1-2,5H2/t8-/m0/s1.
What are the key properties of (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile has a molecular weight of 271.73 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 146541443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).