N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide

C9H9ClN4O2S — CID 83167318

IUPACN-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cnccc1Cl
InChIInChI=1S/C9H9ClN4O2S/c1-6-9(5-12-13-6)17(15,16)14-8-4-11-3-2-7(8)10/h2-5,14H,1H3,(H,12,13)
InChIKeyYQFRTVVVIXOOIQ-UHFFFAOYSA-N
MW272.72 g/mol
LogP1.57
Rot. Bonds3

About N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 83167318) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID83167318
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC NameN-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cnccc1Cl
InChIInChI=1S/C9H9ClN4O2S/c1-6-9(5-12-13-6)17(15,16)14-8-4-11-3-2-7(8)10/h2-5,14H,1H3,(H,12,13)
InChIKeyYQFRTVVVIXOOIQ-UHFFFAOYSA-N
XLogP1.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911353
5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 83165893
N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66257339
N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051868
N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 62086051
2-amino-N-(4-chloro-3-pyridinyl)pyridine-3-sulfonamide
CID 83164863
3-chloro-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 107808689
N-[2-(1-chloroethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65031617
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
2,5-dichloro-N-(4-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 114051881
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83165562

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 83167318) is N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1cnccc1Cl.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YQFRTVVVIXOOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c1-6-9(5-12-13-6)17(15,16)14-8-4-11-3-2-7(8)10/h2-5,14H,1H3,(H,12,13).
What are the key properties of N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 272.72 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 83167318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).