4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide

C12H18ClN3O2S — CID 23151964

IUPAC4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C12H18ClN3O2S/c1-2-16-7-3-4-10(16)8-15-19(17,18)12-9-14-6-5-11(12)13/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeyXIOPSANMDWNOAT-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.50
Rot. Bonds5

About 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide

4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 23151964) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID23151964
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C12H18ClN3O2S/c1-2-16-7-3-4-10(16)8-15-19(17,18)12-9-14-6-5-11(12)13/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeyXIOPSANMDWNOAT-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295661
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 60813192
4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbenzenesulfonamide
CID 104952984
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-4-pyridin-3-ylbenzenesulfonamide
CID 171914644
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 43109838
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873540
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 43454407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide (CID 23151964) is 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide is CCN1CCCC1CNS(=O)(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is XIOPSANMDWNOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-2-16-7-3-4-10(16)8-15-19(17,18)12-9-14-6-5-11(12)13/h5-6,9-10,15H,2-4,7-8H2,1H3.
What are the key properties of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 23151964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).