N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide

C16H23N5O2S — CID 119052670

IUPACN-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)N(CC1CCCCC1)c1cnccn1
InChIInChI=1S/C16H23N5O2S/c1-2-20-16(8-9-19-20)24(22,23)21(15-12-17-10-11-18-15)13-14-6-4-3-5-7-14/h8-12,14H,2-7,13H2,1H3
InChIKeyUARJNRVGUYJCFN-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.47
Rot. Bonds6

About N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide

N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide (PubChem CID 119052670) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide
PubChem CID119052670
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)N(CC1CCCCC1)c1cnccn1
InChIInChI=1S/C16H23N5O2S/c1-2-20-16(8-9-19-20)24(22,23)21(15-12-17-10-11-18-15)13-14-6-4-3-5-7-14/h8-12,14H,2-7,13H2,1H3
InChIKeyUARJNRVGUYJCFN-UHFFFAOYSA-N
XLogP2.47
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide (CID 119052670) is N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide is CCn1nccc1S(=O)(=O)N(CC1CCCCC1)c1cnccn1.
What is the InChIKey of N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide?
The InChIKey is UARJNRVGUYJCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-2-20-16(8-9-19-20)24(22,23)21(15-12-17-10-11-18-15)13-14-6-4-3-5-7-14/h8-12,14H,2-7,13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide?
N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 119052670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).