N-cyclohexyl-1-ethylpyrazole-4-sulfonamide

C11H19N3O2S — CID 6466244

IUPACN-cyclohexyl-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCCC2)cn1
InChIInChI=1S/C11H19N3O2S/c1-2-14-9-11(8-12-14)17(15,16)13-10-6-4-3-5-7-10/h8-10,13H,2-7H2,1H3
InChIKeyVCFMKTGDVIXRAL-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.51
Rot. Bonds4

About N-cyclohexyl-1-ethylpyrazole-4-sulfonamide

N-cyclohexyl-1-ethylpyrazole-4-sulfonamide (PubChem CID 6466244) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-cyclohexyl-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1-ethylpyrazole-4-sulfonamide
PubChem CID6466244
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-cyclohexyl-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCCC2)cn1
InChIInChI=1S/C11H19N3O2S/c1-2-14-9-11(8-12-14)17(15,16)13-10-6-4-3-5-7-10/h8-10,13H,2-7H2,1H3
InChIKeyVCFMKTGDVIXRAL-UHFFFAOYSA-N
XLogP1.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-cyclohexyl-1-ethylpyrazole-4-sulfonamide (CID 6466244) is N-cyclohexyl-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-1-ethylpyrazole-4-sulfonamide?
The InChIKey is VCFMKTGDVIXRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-2-14-9-11(8-12-14)17(15,16)13-10-6-4-3-5-7-10/h8-10,13H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-1-ethylpyrazole-4-sulfonamide?
N-cyclohexyl-1-ethylpyrazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6466244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).