2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide

C9H9ClN4O3S — CID 65486818

IUPAC2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cnc(Cl)nc2)c1C
InChIInChI=1S/C9H9ClN4O3S/c1-5-6(2)13-17-8(5)14-18(15,16)7-3-11-9(10)12-4-7/h3-4,14H,1-2H3
InChIKeyYJQCBDFQTGTJSS-UHFFFAOYSA-N
MW288.72 g/mol
LogP1.54
Rot. Bonds3

About 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide

2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide (PubChem CID 65486818) has the molecular formula C9H9ClN4O3S and a molecular weight of 288.72 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide
PubChem CID65486818
Molecular FormulaC9H9ClN4O3S
Molecular Weight288.72 g/mol
Exact Mass288.01
IUPAC Name2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cnc(Cl)nc2)c1C
InChIInChI=1S/C9H9ClN4O3S/c1-5-6(2)13-17-8(5)14-18(15,16)7-3-11-9(10)12-4-7/h3-4,14H,1-2H3
InChIKeyYJQCBDFQTGTJSS-UHFFFAOYSA-N
XLogP1.54
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.72
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 65486622
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 3765964
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 65480577
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
4-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 14973488
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 18617399
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzenesulfonamide
CID 65487179
4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 65488136
3-chloro-4-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 115698046
4-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 65488716
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide
CID 22998450

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide (CID 65486818) is 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide is Cc1noc(NS(=O)(=O)c2cnc(Cl)nc2)c1C.
What is the InChIKey of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide?
The InChIKey is YJQCBDFQTGTJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O3S/c1-5-6(2)13-17-8(5)14-18(15,16)7-3-11-9(10)12-4-7/h3-4,14H,1-2H3.
What are the key properties of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide has a molecular weight of 288.72 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 65486818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).