4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C16H18N4O2S2 — CID 90572298

IUPAC4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2csc(-n3cccn3)n2)cc1
InChIInChI=1S/C16H18N4O2S2/c1-2-13-4-6-15(7-5-13)24(21,22)18-10-8-14-12-23-16(19-14)20-11-3-9-17-20/h3-7,9,11-12,18H,2,8,10H2,1H3
InChIKeyNHFLKQPMGKILJZ-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.41
Rot. Bonds7

About 4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 90572298) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID90572298
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2csc(-n3cccn3)n2)cc1
InChIInChI=1S/C16H18N4O2S2/c1-2-13-4-6-15(7-5-13)24(21,22)18-10-8-14-12-23-16(19-14)20-11-3-9-17-20/h3-7,9,11-12,18H,2,8,10H2,1H3
InChIKeyNHFLKQPMGKILJZ-UHFFFAOYSA-N
XLogP2.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572291
2,5-dimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572267
4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317833
2-pyrazol-1-yl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572214
2-(3,4-dimethoxyphenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572152
4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110398238
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide
CID 90571042
2-ethylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 90572185
4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789250
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 90572298) is 4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2csc(-n3cccn3)n2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is NHFLKQPMGKILJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-2-13-4-6-15(7-5-13)24(21,22)18-10-8-14-12-23-16(19-14)20-11-3-9-17-20/h3-7,9,11-12,18H,2,8,10H2,1H3.
What are the key properties of 4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90572298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).