6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide

C12H13ClN4O2S — CID 64607542

IUPAC6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCc2ccccn2)cc1Cl
InChIInChI=1S/C12H13ClN4O2S/c13-11-7-10(8-16-12(11)14)20(18,19)17-6-4-9-3-1-2-5-15-9/h1-3,5,7-8,17H,4,6H2,(H2,14,16)
InChIKeyVWACJGHXJZLIAD-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.23
Rot. Bonds5

About 6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide

6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide (PubChem CID 64607542) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
PubChem CID64607542
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC Name6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCc2ccccn2)cc1Cl
InChIInChI=1S/C12H13ClN4O2S/c13-11-7-10(8-16-12(11)14)20(18,19)17-6-4-9-3-1-2-5-15-9/h1-3,5,7-8,17H,4,6H2,(H2,14,16)
InChIKeyVWACJGHXJZLIAD-UHFFFAOYSA-N
XLogP1.23
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
6-amino-5-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 64600162
5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 64609007
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516
6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64606219
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
4-chloro-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 4878966
5-(2-pyridin-2-ylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614071
6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 64602641
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide (CID 64607542) is 6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide is Nc1ncc(S(=O)(=O)NCCc2ccccn2)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide?
The InChIKey is VWACJGHXJZLIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c13-11-7-10(8-16-12(11)14)20(18,19)17-6-4-9-3-1-2-5-15-9/h1-3,5,7-8,17H,4,6H2,(H2,14,16).
What are the key properties of 6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide?
6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64607542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).