N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide

C16H21N3O3S — CID 71808655

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide
SMILESCn1nc(CNS(=O)(=O)CCOc2ccccc2)cc1C1CC1
InChIInChI=1S/C16H21N3O3S/c1-19-16(13-7-8-13)11-14(18-19)12-17-23(20,21)10-9-22-15-5-3-2-4-6-15/h2-6,11,13,17H,7-10,12H2,1H3
InChIKeyWDNFFTONISTEJX-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.80
Rot. Bonds8

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide (PubChem CID 71808655) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide
PubChem CID71808655
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide
SMILESCn1nc(CNS(=O)(=O)CCOc2ccccc2)cc1C1CC1
InChIInChI=1S/C16H21N3O3S/c1-19-16(13-7-8-13)11-14(18-19)12-17-23(20,21)10-9-22-15-5-3-2-4-6-15/h2-6,11,13,17H,7-10,12H2,1H3
InChIKeyWDNFFTONISTEJX-UHFFFAOYSA-N
XLogP1.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide (CID 71808655) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide is Cn1nc(CNS(=O)(=O)CCOc2ccccc2)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide?
The InChIKey is WDNFFTONISTEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-19-16(13-7-8-13)11-14(18-19)12-17-23(20,21)10-9-22-15-5-3-2-4-6-15/h2-6,11,13,17H,7-10,12H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-phenoxyethanesulfonamide is sourced from PubChem (CID 71808655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).