4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide

C12H13ClN4O2S — CID 2515357

IUPAC4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide
SMILESCc1cc(C)nc(NNS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN4O2S/c1-8-7-9(2)15-12(14-8)16-17-20(18,19)11-5-3-10(13)4-6-11/h3-7,17H,1-2H3,(H,14,15,16)
InChIKeyONIHDLKWYFJODT-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.05
Rot. Bonds4

About 4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide

4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide (PubChem CID 2515357) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is 4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide
PubChem CID2515357
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC Name4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide
SMILESCc1cc(C)nc(NNS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN4O2S/c1-8-7-9(2)15-12(14-8)16-17-20(18,19)11-5-3-10(13)4-6-11/h3-7,17H,1-2H3,(H,14,15,16)
InChIKeyONIHDLKWYFJODT-UHFFFAOYSA-N
XLogP2.05
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sulfaclomide
CID 71168
Desaminosulfamethazine
CID 188299
acs.jmedchem.1c00409_ST.259
CID 145961183
N-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 647569
N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 778482
4-chloro-N-(4-hydrazinyl-6-methyl-2-pyrimidinyl)benzenesulfonamide
CID 778488
(6-Chloro-2-methyl-4-pyrimidinyl)methyl 4-chlorophenyl sulfone
CID 1476657
2-chloro-N-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 658851
Benzenesulfonamide, 2-chloro-N-(((4,6-dimethyl-2-pyrimidinyl)amino)carbonyl)-
CID 182458
2-chloro-N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 778521
2-chloro-N-((4-methyl-6-(1-methylhydrazinyl)pyrimidin-2-yl)carbamoyl)benzenesulfonamide
CID 1893387
3-chloro-N''-(4,6-dimethyl-2-pyrimidinyl)-4-fluorobenzenesulfonohydrazide
CID 8480343

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide?
The IUPAC name of 4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide (CID 2515357) is 4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide.
What is the SMILES notation for 4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide?
The canonical SMILES for 4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide is Cc1cc(C)nc(NNS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide?
The InChIKey is ONIHDLKWYFJODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-8-7-9(2)15-12(14-8)16-17-20(18,19)11-5-3-10(13)4-6-11/h3-7,17H,1-2H3,(H,14,15,16).
What are the key properties of 4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide?
4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide has a molecular weight of 312.78 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide is sourced from PubChem (CID 2515357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).