N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide

C8H12ClN3O2S — CID 103094659

IUPACN-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C8H12ClN3O2S/c1-10-5-6-15(13,14)12-8-7(9)3-2-4-11-8/h2-4,10H,5-6H2,1H3,(H,11,12)
InChIKeySRGMVGHTQVVKSJ-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.70
Rot. Bonds5

About N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide

N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide (PubChem CID 103094659) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide
PubChem CID103094659
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC NameN-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C8H12ClN3O2S/c1-10-5-6-15(13,14)12-8-7(9)3-2-4-11-8/h2-4,10H,5-6H2,1H3,(H,11,12)
InChIKeySRGMVGHTQVVKSJ-UHFFFAOYSA-N
XLogP0.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide
CID 103094092
N-(3-chloro-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106086632
3-chloro-N-(ethylsulfamoyl)pyridin-2-amine
CID 103094532
N-(3-chloro-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113356222
N-(2-chloro-6-methylphenyl)-2-(methylamino)ethanesulfonamide
CID 66256869
3-chloro-2-(diethylsulfamoylamino)pyridine
CID 103094534
N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106086657
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086556
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide
CID 103093992
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 106086586

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide (CID 103094659) is N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide?
The InChIKey is SRGMVGHTQVVKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-10-5-6-15(13,14)12-8-7(9)3-2-4-11-8/h2-4,10H,5-6H2,1H3,(H,11,12).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide?
N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 103094659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).