4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide

C11H12ClN5O2S — CID 778488

IUPAC4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(NN)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN5O2S/c1-7-6-10(16-13)15-11(14-7)17-20(18,19)9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyBZLBBDGMWGUXOS-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.52
Rot. Bonds4

About 4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide

4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 778488) has the molecular formula C11H12ClN5O2S and a molecular weight of 313.77 g/mol. Its IUPAC name is 4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID778488
Molecular FormulaC11H12ClN5O2S
Molecular Weight313.77 g/mol
Exact Mass313.04
IUPAC Name4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(NN)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN5O2S/c1-7-6-10(16-13)15-11(14-7)17-20(18,19)9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyBZLBBDGMWGUXOS-UHFFFAOYSA-N
XLogP1.52
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 778488) is 4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(NN)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is BZLBBDGMWGUXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2S/c1-7-6-10(16-13)15-11(14-7)17-20(18,19)9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide?
4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 313.77 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 778488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).