2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide

C10H11ClN4O3S — CID 113239631

IUPAC2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cccnc2Cl)no1
InChIInChI=1S/C10H11ClN4O3S/c1-7-14-9(15-18-7)4-6-13-19(16,17)8-3-2-5-12-10(8)11/h2-3,5,13H,4,6H2,1H3
InChIKeyIIGBJTFIQOMABD-UHFFFAOYSA-N
MW302.74 g/mol
LogP0.95
Rot. Bonds5

About 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide

2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 113239631) has the molecular formula C10H11ClN4O3S and a molecular weight of 302.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
PubChem CID113239631
Molecular FormulaC10H11ClN4O3S
Molecular Weight302.74 g/mol
Exact Mass302.02
IUPAC Name2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cccnc2Cl)no1
InChIInChI=1S/C10H11ClN4O3S/c1-7-14-9(15-18-7)4-6-13-19(16,17)8-3-2-5-12-10(8)11/h2-3,5,13H,4,6H2,1H3
InChIKeyIIGBJTFIQOMABD-UHFFFAOYSA-N
XLogP0.95
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106419522
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 104859220
5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413633
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide
CID 61217770
3-amino-2,4-difluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413593
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 54953527
ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 55207055
4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413600
5-amino-2-fluoro-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413667
2-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106413785
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide (CID 113239631) is 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide is Cc1nc(CCNS(=O)(=O)c2cccnc2Cl)no1.
What is the InChIKey of 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is IIGBJTFIQOMABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3S/c1-7-14-9(15-18-7)4-6-13-19(16,17)8-3-2-5-12-10(8)11/h2-3,5,13H,4,6H2,1H3.
What are the key properties of 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide?
2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 302.74 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 113239631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).