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

C9H9ClN4O3S — CID 61045796

IUPAC2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
SMILESCc1noc(CNS(=O)(=O)c2ccnc(Cl)c2)n1
InChIInChI=1S/C9H9ClN4O3S/c1-6-13-9(17-14-6)5-12-18(15,16)7-2-3-11-8(10)4-7/h2-4,12H,5H2,1H3
InChIKeyITCQEOYOIHWCJL-UHFFFAOYSA-N
MW288.72 g/mol
LogP0.90
Rot. Bonds4

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

2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide (PubChem CID 61045796) has the molecular formula C9H9ClN4O3S and a molecular weight of 288.72 g/mol. Its IUPAC name is 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
PubChem CID61045796
Molecular FormulaC9H9ClN4O3S
Molecular Weight288.72 g/mol
Exact Mass288.01
IUPAC Name2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
SMILESCc1noc(CNS(=O)(=O)c2ccnc(Cl)c2)n1
InChIInChI=1S/C9H9ClN4O3S/c1-6-13-9(17-14-6)5-12-18(15,16)7-2-3-11-8(10)4-7/h2-4,12H,5H2,1H3
InChIKeyITCQEOYOIHWCJL-UHFFFAOYSA-N
XLogP0.90
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.72
LogP ≤ 50.90
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-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 62151663
2-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61014864
3-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 81259149
2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
CID 62524558
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64602460
2-iodo-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 103962380
2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide
CID 61046336
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
4-(cyanomethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 79186636
2-chloro-5-cyano-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 80704491
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
3-amino-2-bromo-5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 62957769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide (CID 61045796) is 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide is Cc1noc(CNS(=O)(=O)c2ccnc(Cl)c2)n1.
What is the InChIKey of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide?
The InChIKey is ITCQEOYOIHWCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O3S/c1-6-13-9(17-14-6)5-12-18(15,16)7-2-3-11-8(10)4-7/h2-4,12H,5H2,1H3.
What are the key properties of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide?
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide has a molecular weight of 288.72 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide is sourced from PubChem (CID 61045796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).