N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide

C12H21N3O2S — CID 6470748

IUPACN-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2CCCCC2)cn1
InChIInChI=1S/C12H21N3O2S/c1-2-15-10-12(9-13-15)18(16,17)14-8-11-6-4-3-5-7-11/h9-11,14H,2-8H2,1H3
InChIKeyQABBTQIXOPCGTG-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.76
Rot. Bonds5

About N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide

N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 6470748) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID6470748
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2CCCCC2)cn1
InChIInChI=1S/C12H21N3O2S/c1-2-15-10-12(9-13-15)18(16,17)14-8-11-6-4-3-5-7-11/h9-11,14H,2-8H2,1H3
InChIKeyQABBTQIXOPCGTG-UHFFFAOYSA-N
XLogP1.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide (CID 6470748) is N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC2CCCCC2)cn1.
What is the InChIKey of N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is QABBTQIXOPCGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-15-10-12(9-13-15)18(16,17)14-8-11-6-4-3-5-7-11/h9-11,14H,2-8H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide?
N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6470748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).