N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide

C13H23N3O3S — CID 104710096

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C13H23N3O3S/c1-3-11-4-7-13(17,8-5-11)10-15-20(18,19)12-6-9-14-16(12)2/h6,9,11,15,17H,3-5,7-8,10H2,1-2H3
InChIKeyJQFWVSWMAPPTJO-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.03
Rot. Bonds5

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104710096) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide
PubChem CID104710096
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C13H23N3O3S/c1-3-11-4-7-13(17,8-5-11)10-15-20(18,19)12-6-9-14-16(12)2/h6,9,11,15,17H,3-5,7-8,10H2,1-2H3
InChIKeyJQFWVSWMAPPTJO-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104709256
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693115
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 104710131
4-methyl-1-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 104709737
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65115478
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65119728
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 113444051
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121845
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65121361
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 65121793
N-[(3-aminocyclopentyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 114146761
4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555851

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide (CID 104710096) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide is CCC1CCC(O)(CNS(=O)(=O)c2ccnn2C)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is JQFWVSWMAPPTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-11-4-7-13(17,8-5-11)10-15-20(18,19)12-6-9-14-16(12)2/h6,9,11,15,17H,3-5,7-8,10H2,1-2H3.
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104710096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).