N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C19H27N3O2S — CID 22772410

IUPACN-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C19H27N3O2S/c1-4-16-10-12-17(13-11-16)21-25(23,24)19-14(2)20-22(15(19)3)18-8-6-5-7-9-18/h5-9,16-17,21H,4,10-13H2,1-3H3
InChIKeyZEAOEYIHOZVYLJ-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.74
Rot. Bonds5

About N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22772410) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22772410
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C19H27N3O2S/c1-4-16-10-12-17(13-11-16)21-25(23,24)19-14(2)20-22(15(19)3)18-8-6-5-7-9-18/h5-9,16-17,21H,4,10-13H2,1-3H3
InChIKeyZEAOEYIHOZVYLJ-UHFFFAOYSA-N
XLogP3.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 19681094
3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide
CID 19681996
3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 19682095
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 91768269
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
3,5-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 17375894
2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide
CID 61466874
5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 46679738
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34349914
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17375842

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 22772410) is N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is CCC1CCC(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is ZEAOEYIHOZVYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-4-16-10-12-17(13-11-16)21-25(23,24)19-14(2)20-22(15(19)3)18-8-6-5-7-9-18/h5-9,16-17,21H,4,10-13H2,1-3H3.
What are the key properties of N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 361.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22772410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).