N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide

C14H17N3O2S — CID 166331962

IUPACN-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide
SMILESCc1cc(CNS(=O)(=O)C2CC2c2ccccc2)n[nH]1
InChIInChI=1S/C14H17N3O2S/c1-10-7-12(17-16-10)9-15-20(18,19)14-8-13(14)11-5-3-2-4-6-11/h2-7,13-15H,8-9H2,1H3,(H,16,17)
InChIKeyGLXBSZFNFFZKLE-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.69
Rot. Bonds5

About N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide

N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide (PubChem CID 166331962) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide
PubChem CID166331962
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide
SMILESCc1cc(CNS(=O)(=O)C2CC2c2ccccc2)n[nH]1
InChIInChI=1S/C14H17N3O2S/c1-10-7-12(17-16-10)9-15-20(18,19)14-8-13(14)11-5-3-2-4-6-11/h2-7,13-15H,8-9H2,1H3,(H,16,17)
InChIKeyGLXBSZFNFFZKLE-UHFFFAOYSA-N
XLogP1.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylsulfonylcyclopropyl)benzene
CID 89149052
trans-(1S,2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide
CID 164635717
trans-(1R,2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide
CID 126822945
trans-(1R,2S)-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-2-phenylcyclopropane-1-sulfonamide
CID 136589204
N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 56877158
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylcyclopropane-1-sulfonamide
CID 166331393
3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
CID 166331895
trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide
CID 68572736
(1R,2R,4S)-N-benzylbicyclo[2.2.1]hept-5-ene-2-sulfonamide
CID 90661783
2-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylsulfamoyl]cyclobutane-1-carboxylic acid
CID 166395286
2-(2-phenylcyclopropyl)sulfonylacetic acid
CID 116516571
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide (CID 166331962) is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide is Cc1cc(CNS(=O)(=O)C2CC2c2ccccc2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide?
The InChIKey is GLXBSZFNFFZKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-7-12(17-16-10)9-15-20(18,19)14-8-13(14)11-5-3-2-4-6-11/h2-7,13-15H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide?
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide is sourced from PubChem (CID 166331962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).