1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide

C17H31N3O2S — CID 22772503

IUPAC1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCC(C(C)(C)CC)CC2)c(C)n1
InChIInChI=1S/C17H31N3O2S/c1-6-17(4,5)14-8-10-15(11-9-14)19-23(21,22)16-12-20(7-2)18-13(16)3/h12,14-15,19H,6-11H2,1-5H3
InChIKeyLSJVJEDNTCEZTB-UHFFFAOYSA-N
MW341.52 g/mol
LogP3.48
Rot. Bonds6

About 1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide (PubChem CID 22772503) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide
PubChem CID22772503
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC Name1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCC(C(C)(C)CC)CC2)c(C)n1
InChIInChI=1S/C17H31N3O2S/c1-6-17(4,5)14-8-10-15(11-9-14)19-23(21,22)16-12-20(7-2)18-13(16)3/h12,14-15,19H,6-11H2,1-5H3
InChIKeyLSJVJEDNTCEZTB-UHFFFAOYSA-N
XLogP3.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19581844
1-ethyl-3-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682091
N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 56913094
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 17377916
N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
CID 22772497
N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 22772493
N-(1-adamantyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681563
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide
CID 19582950

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide (CID 22772503) is 1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCC(C(C)(C)CC)CC2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide?
The InChIKey is LSJVJEDNTCEZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S/c1-6-17(4,5)14-8-10-15(11-9-14)19-23(21,22)16-12-20(7-2)18-13(16)3/h12,14-15,19H,6-11H2,1-5H3.
What are the key properties of 1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide has a molecular weight of 341.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22772503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).