6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide

C10H11ClN4O2S — CID 39836918

IUPAC6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(Cl)nc2)cn1
InChIInChI=1S/C10H11ClN4O2S/c1-2-15-7-8(5-13-15)14-18(16,17)9-3-4-10(11)12-6-9/h3-7,14H,2H2,1H3
InChIKeyYKJQXUDNHOAMNX-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.75
Rot. Bonds4

About 6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide

6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 39836918) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID39836918
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(Cl)nc2)cn1
InChIInChI=1S/C10H11ClN4O2S/c1-2-15-7-8(5-13-15)14-18(16,17)9-3-4-10(11)12-6-9/h3-7,14H,2H2,1H3
InChIKeyYKJQXUDNHOAMNX-UHFFFAOYSA-N
XLogP1.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.75
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-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 60824964
4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43430297
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
N-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31913122
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
5-bromo-2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 60779710
4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
CID 2683843

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 39836918) is 6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide is CCn1cc(NS(=O)(=O)c2ccc(Cl)nc2)cn1.
What is the InChIKey of 6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is YKJQXUDNHOAMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-2-15-7-8(5-13-15)14-18(16,17)9-3-4-10(11)12-6-9/h3-7,14H,2H2,1H3.
What are the key properties of 6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 39836918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).