N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide

C9H9ClN4O2S — CID 104821297

IUPACN-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C9H9ClN4O2S/c1-14-9(5-6-11-14)17(15,16)13-8-4-2-3-7(10)12-8/h2-6H,1H3,(H,12,13)
InChIKeySEQWIYLRGOJYDK-UHFFFAOYSA-N
MW272.72 g/mol
LogP1.27
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide

N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104821297) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide
PubChem CID104821297
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC NameN-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C9H9ClN4O2S/c1-14-9(5-6-11-14)17(15,16)13-8-4-2-3-7(10)12-8/h2-6H,1H3,(H,12,13)
InChIKeySEQWIYLRGOJYDK-UHFFFAOYSA-N
XLogP1.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-methyl-3-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 107266789
N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661
2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid
CID 115641165
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961
N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 104821325
N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide
CID 107466320
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide
CID 115663120
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 104821321
N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
CID 104625509
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709797
N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 104821273

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide (CID 104821297) is N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is SEQWIYLRGOJYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c1-14-9(5-6-11-14)17(15,16)13-8-4-2-3-7(10)12-8/h2-6H,1H3,(H,12,13).
What are the key properties of N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide?
N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 272.72 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104821297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).