2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide

C10H11ClN4O2S — CID 61046336

IUPAC2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H11ClN4O2S/c1-7-8(5-13-15-7)6-14-18(16,17)9-2-3-12-10(11)4-9/h2-5,14H,6H2,1H3,(H,13,15)
InChIKeyHARQHSIVDNPNNK-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.25
Rot. Bonds4

About 2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide

2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide (PubChem CID 61046336) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide
PubChem CID61046336
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H11ClN4O2S/c1-7-8(5-13-15-7)6-14-18(16,17)9-2-3-12-10(11)4-9/h2-5,14H,6H2,1H3,(H,13,15)
InChIKeyHARQHSIVDNPNNK-UHFFFAOYSA-N
XLogP1.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 54896202
2-chloro-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 107089976
3-amino-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61126378
3-fluoro-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896485
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62151905
4-methyl-3-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015484
4-bromo-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 107650037
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 61022852
2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
CID 62524558
4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 61004285
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 61045796
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide (CID 61046336) is 2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide is Cc1[nH]ncc1CNS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide?
The InChIKey is HARQHSIVDNPNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-7-8(5-13-15-7)6-14-18(16,17)9-2-3-12-10(11)4-9/h2-5,14H,6H2,1H3,(H,13,15).
What are the key properties of 2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide?
2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide is sourced from PubChem (CID 61046336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).