4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C13H18N4O3S — CID 106373377

IUPAC4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(C)cc(NN)cc2C)o1
InChIInChI=1S/C13H18N4O3S/c1-8-4-11(17-14)5-9(2)13(8)21(18,19)16-7-12-15-6-10(3)20-12/h4-6,16-17H,7,14H2,1-3H3
InChIKeyQUICJCSGSRNHND-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.36
Rot. Bonds5

About 4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 106373377) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID106373377
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(C)cc(NN)cc2C)o1
InChIInChI=1S/C13H18N4O3S/c1-8-4-11(17-14)5-9(2)13(8)21(18,19)16-7-12-15-6-10(3)20-12/h4-6,16-17H,7,14H2,1-3H3
InChIKeyQUICJCSGSRNHND-UHFFFAOYSA-N
XLogP1.36
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369131
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660446
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378096
2-amino-5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369128
4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378080
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107327862
2-[(4-hydrazinyl-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327783
4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107327746

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 106373377) is 4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2c(C)cc(NN)cc2C)o1.
What is the InChIKey of 4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is QUICJCSGSRNHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8-4-11(17-14)5-9(2)13(8)21(18,19)16-7-12-15-6-10(3)20-12/h4-6,16-17H,7,14H2,1-3H3.
What are the key properties of 4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106373377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).