N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide

C13H23N3O2S — CID 19581844

IUPACN-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCCCC2)c(C)n1
InChIInChI=1S/C13H23N3O2S/c1-3-16-10-13(11(2)14-16)19(17,18)15-12-8-6-4-5-7-9-12/h10,12,15H,3-9H2,1-2H3
InChIKeyRSIYPIJDXKDRJP-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.21
Rot. Bonds4

About N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide

N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide (PubChem CID 19581844) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide
PubChem CID19581844
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCCCC2)c(C)n1
InChIInChI=1S/C13H23N3O2S/c1-3-16-10-13(11(2)14-16)19(17,18)15-12-8-6-4-5-7-9-12/h10,12,15H,3-9H2,1-2H3
InChIKeyRSIYPIJDXKDRJP-UHFFFAOYSA-N
XLogP2.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide (CID 19581844) is N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCCCC2)c(C)n1.
What is the InChIKey of N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is RSIYPIJDXKDRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-16-10-13(11(2)14-16)19(17,18)15-12-8-6-4-5-7-9-12/h10,12,15H,3-9H2,1-2H3.
What are the key properties of N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19581844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).