6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide

C13H20ClN3O2S — CID 61215514

IUPAC6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C13H20ClN3O2S/c1-10(2)17-6-5-11(9-17)7-16-20(18,19)12-3-4-13(14)15-8-12/h3-4,8,10-11,16H,5-7,9H2,1-2H3
InChIKeySGOMZUWBGTVLPI-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.74
Rot. Bonds5

About 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide

6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 61215514) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID61215514
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C13H20ClN3O2S/c1-10(2)17-6-5-11(9-17)7-16-20(18,19)12-3-4-13(14)15-8-12/h3-4,8,10-11,16H,5-7,9H2,1-2H3
InChIKeySGOMZUWBGTVLPI-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.74
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

3-bromo-4-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 106611017
6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide
CID 86767944
5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide
CID 64607317
3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103301342
4-bromo-2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207385
6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295654
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549
3-amino-5-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63322314
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62158541
4-nitro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887533

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (CID 61215514) is 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is CC(C)N1CCC(CNS(=O)(=O)c2ccc(Cl)nc2)C1.
What is the InChIKey of 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is SGOMZUWBGTVLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-10(2)17-6-5-11(9-17)7-16-20(18,19)12-3-4-13(14)15-8-12/h3-4,8,10-11,16H,5-7,9H2,1-2H3.
What are the key properties of 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 61215514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).