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

C12H21N3O2S — CID 19581846

IUPACN-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCCC2)c(C)n1
InChIInChI=1S/C12H21N3O2S/c1-3-15-9-12(10(2)13-15)18(16,17)14-11-7-5-4-6-8-11/h9,11,14H,3-8H2,1-2H3
InChIKeyRVRVYHINNBIKQD-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.82
Rot. Bonds4

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

N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide (PubChem CID 19581846) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide
PubChem CID19581846
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCCC2)c(C)n1
InChIInChI=1S/C12H21N3O2S/c1-3-15-9-12(10(2)13-15)18(16,17)14-11-7-5-4-6-8-11/h9,11,14H,3-8H2,1-2H3
InChIKeyRVRVYHINNBIKQD-UHFFFAOYSA-N
XLogP1.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide (CID 19581846) is N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCCC2)c(C)n1.
What is the InChIKey of N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is RVRVYHINNBIKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-15-9-12(10(2)13-15)18(16,17)14-11-7-5-4-6-8-11/h9,11,14H,3-8H2,1-2H3.
What are the key properties of N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-ethyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19581846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).