N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide

C15H20N4O2S — CID 171133561

IUPACN-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cnn(-c2ccccn2)c1
InChIInChI=1S/C15H20N4O2S/c1-2-18(11-13-6-5-7-13)22(20,21)14-10-17-19(12-14)15-8-3-4-9-16-15/h3-4,8-10,12-13H,2,5-7,11H2,1H3
InChIKeyJWFOQKRRNWDRIT-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.08
Rot. Bonds6

About N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide

N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide (PubChem CID 171133561) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide
PubChem CID171133561
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cnn(-c2ccccn2)c1
InChIInChI=1S/C15H20N4O2S/c1-2-18(11-13-6-5-7-13)22(20,21)14-10-17-19(12-14)15-8-3-4-9-16-15/h3-4,8-10,12-13H,2,5-7,11H2,1H3
InChIKeyJWFOQKRRNWDRIT-UHFFFAOYSA-N
XLogP2.08
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 54857001
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688053
N-(furan-2-ylmethyl)-N-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688068
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
N-(cyclobutylmethyl)-N-ethyl-2-hydrazinylpyridine-4-sulfonamide
CID 107399527
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
CID 63957203
N-(2-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688101
N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688094
4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107402746

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide (CID 171133561) is N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cnn(-c2ccccn2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
The InChIKey is JWFOQKRRNWDRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-2-18(11-13-6-5-7-13)22(20,21)14-10-17-19(12-14)15-8-3-4-9-16-15/h3-4,8-10,12-13H,2,5-7,11H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 171133561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).