5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide

C11H14ClN5O3S — CID 106373397

IUPAC5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cnc(NN)c(Cl)c2)oc1C
InChIInChI=1S/C11H14ClN5O3S/c1-6-7(2)20-10(16-6)5-15-21(18,19)8-3-9(12)11(17-13)14-4-8/h3-4,15H,5,13H2,1-2H3,(H,14,17)
InChIKeyUILNOBUHOKTGKF-UHFFFAOYSA-N
MW331.79 g/mol
LogP1.10
Rot. Bonds5

About 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide

5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 106373397) has the molecular formula C11H14ClN5O3S and a molecular weight of 331.79 g/mol. Its IUPAC name is 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
PubChem CID106373397
Molecular FormulaC11H14ClN5O3S
Molecular Weight331.79 g/mol
Exact Mass331.05
IUPAC Name5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cnc(NN)c(Cl)c2)oc1C
InChIInChI=1S/C11H14ClN5O3S/c1-6-7(2)20-10(16-6)5-15-21(18,19)8-3-9(12)11(17-13)14-4-8/h3-4,15H,5,13H2,1-2H3,(H,14,17)
InChIKeyUILNOBUHOKTGKF-UHFFFAOYSA-N
XLogP1.10
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.79
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 64607222
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64607994
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64602460
5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
CID 114111350
5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64607977
5-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608939
4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
5-chloro-6-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyridine-3-sulfonamide
CID 64608765
5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 65486622
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-hydrazinylpyridine-3-sulfonamide
CID 106373383

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide (CID 106373397) is 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide is Cc1nc(CNS(=O)(=O)c2cnc(NN)c(Cl)c2)oc1C.
What is the InChIKey of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is UILNOBUHOKTGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O3S/c1-6-7(2)20-10(16-6)5-15-21(18,19)8-3-9(12)11(17-13)14-4-8/h3-4,15H,5,13H2,1-2H3,(H,14,17).
What are the key properties of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 331.79 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 106373397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).