N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H18ClN3O2S — CID 102638739

IUPACN-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)C1CCCCC1Cl
InChIInChI=1S/C11H18ClN3O2S/c1-8-11(7-13-14-8)18(16,17)15(2)10-6-4-3-5-9(10)12/h7,9-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyOKSNUGYKBIGIAA-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.89
Rot. Bonds3

About N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 102638739) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID102638739
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC NameN-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)C1CCCCC1Cl
InChIInChI=1S/C11H18ClN3O2S/c1-8-11(7-13-14-8)18(16,17)15(2)10-6-4-3-5-9(10)12/h7,9-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyOKSNUGYKBIGIAA-UHFFFAOYSA-N
XLogP1.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 102638739) is N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(C)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OKSNUGYKBIGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-8-11(7-13-14-8)18(16,17)15(2)10-6-4-3-5-9(10)12/h7,9-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 102638739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).