N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide

C11H19N3O2S — CID 102692871

IUPACN-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCC1CCCCC1CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H19N3O2S/c1-9-4-2-3-5-10(9)8-13-17(15,16)11-6-7-12-14-11/h6-7,9-10,13H,2-5,8H2,1H3,(H,12,14)
InChIKeyQOQAXKLYVAGFJI-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.51
Rot. Bonds4

About N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide

N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692871) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692871
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCC1CCCCC1CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H19N3O2S/c1-9-4-2-3-5-10(9)8-13-17(15,16)11-6-7-12-14-11/h6-7,9-10,13H,2-5,8H2,1H3,(H,12,14)
InChIKeyQOQAXKLYVAGFJI-UHFFFAOYSA-N
XLogP1.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-[(3-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 107414868
N-[(3-hydroxycyclobutyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693146
N-[(5-oxopyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693077
4-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106018506
N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692335
N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-sulfonamide
CID 107420200
N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 107297786
2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 62147960
N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692339
3-(methylamino)-N-[(2-methylcyclohexyl)methyl]pyridine-2-sulfonamide
CID 103305012
N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide (CID 102692871) is N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide is CC1CCCCC1CNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is QOQAXKLYVAGFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-4-2-3-5-10(9)8-13-17(15,16)11-6-7-12-14-11/h6-7,9-10,13H,2-5,8H2,1H3,(H,12,14).
What are the key properties of N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).