2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid

C12H16ClN3O4S — CID 146372173

IUPAC2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid
SMILESCC1(CNS(=O)(=O)c2cccnc2Cl)CCCN1C(=O)O
InChIInChI=1S/C12H16ClN3O4S/c1-12(5-3-7-16(12)11(17)18)8-15-21(19,20)9-4-2-6-14-10(9)13/h2,4,6,15H,3,5,7-8H2,1H3,(H,17,18)
InChIKeyGJGYMSYQEOKEJM-UHFFFAOYSA-N
MW333.80 g/mol
LogP1.55
Rot. Bonds4

About 2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid

2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid (PubChem CID 146372173) has the molecular formula C12H16ClN3O4S and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid
PubChem CID146372173
Molecular FormulaC12H16ClN3O4S
Molecular Weight333.80 g/mol
Exact Mass333.06
IUPAC Name2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid
SMILESCC1(CNS(=O)(=O)c2cccnc2Cl)CCCN1C(=O)O
InChIInChI=1S/C12H16ClN3O4S/c1-12(5-3-7-16(12)11(17)18)8-15-21(19,20)9-4-2-6-14-10(9)13/h2,4,6,15H,3,5,7-8H2,1H3,(H,17,18)
InChIKeyGJGYMSYQEOKEJM-UHFFFAOYSA-N
XLogP1.55
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 115755597
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CID 80527113
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 62520137
1-[(2-chloro-3-pyridinyl)sulfonyl]-4,4-dimethylazepane
CID 65280982
(2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid
CID 175419170
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934121
2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 78997965
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 55207055
2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83013823

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid (CID 146372173) is 2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid is CC1(CNS(=O)(=O)c2cccnc2Cl)CCCN1C(=O)O.
What is the InChIKey of 2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid?
The InChIKey is GJGYMSYQEOKEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4S/c1-12(5-3-7-16(12)11(17)18)8-15-21(19,20)9-4-2-6-14-10(9)13/h2,4,6,15H,3,5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid?
2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid has a molecular weight of 333.80 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 146372173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).