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

C11H12ClN5O2S — CID 107626553

IUPACN-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2cnc(NN)nc2)c1
InChIInChI=1S/C11H12ClN5O2S/c1-7-2-3-9(12)10(4-7)17-20(18,19)8-5-14-11(16-13)15-6-8/h2-6,17H,13H2,1H3,(H,14,15,16)
InChIKeyUMXDGLCAKAJECG-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.52
Rot. Bonds4

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

N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 107626553) has the molecular formula C11H12ClN5O2S and a molecular weight of 313.77 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID107626553
Molecular FormulaC11H12ClN5O2S
Molecular Weight313.77 g/mol
Exact Mass313.04
IUPAC NameN-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2cnc(NN)nc2)c1
InChIInChI=1S/C11H12ClN5O2S/c1-7-2-3-9(12)10(4-7)17-20(18,19)8-5-14-11(16-13)15-6-8/h2-6,17H,13H2,1H3,(H,14,15,16)
InChIKeyUMXDGLCAKAJECG-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-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363
6-amino-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107624515
N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329492
N-(2,4-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329685
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107630560
2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 61329110
N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62142847
N-(2,3-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329103
5-chloro-N-(2-chloro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608552
N-(2,4-dibromophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61477635
5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide
CID 106087649
2-amino-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143731

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide (CID 107626553) is N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide is Cc1ccc(Cl)c(NS(=O)(=O)c2cnc(NN)nc2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is UMXDGLCAKAJECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2S/c1-7-2-3-9(12)10(4-7)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-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
N-(2-chloro-5-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-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 107626553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).