N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide

C11H12ClN5O2S — CID 61329492

IUPACN-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C11H12ClN5O2S/c1-7-9(12)3-2-4-10(7)17-20(18,19)8-5-14-11(16-13)15-6-8/h2-6,17H,13H2,1H3,(H,14,15,16)
InChIKeyQFTJDRUIFIVMIF-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.52
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide

N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 61329492) has the molecular formula C11H12ClN5O2S and a molecular weight of 313.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID61329492
Molecular FormulaC11H12ClN5O2S
Molecular Weight313.77 g/mol
Exact Mass313.04
IUPAC NameN-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C11H12ClN5O2S/c1-7-9(12)3-2-4-10(7)17-20(18,19)8-5-14-11(16-13)15-6-8/h2-6,17H,13H2,1H3,(H,14,15,16)
InChIKeyQFTJDRUIFIVMIF-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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Related Compounds

N-(2,3-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329103
6-amino-5-chloro-N-(3-chloro-2-methylphenyl)pyridine-3-sulfonamide
CID 64606596
N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 107626553
N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61328716
5-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114613985
N-(2,4-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329685
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 61329110
N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide (CID 61329492) is N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cnc(NN)nc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is QFTJDRUIFIVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2S/c1-7-9(12)3-2-4-10(7)17-20(18,19)8-5-14-11(16-13)15-6-8/h2-6,17H,13H2,1H3,(H,14,15,16).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide 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 N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 61329492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).