N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide

C14H17F2N3O3S — CID 75441719

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1
InChIInChI=1S/C14H17F2N3O3S/c1-10(2)22-12-3-5-13(6-4-12)23(20,21)18-11-7-17-19(8-11)9-14(15)16/h3-8,10,14,18H,9H2,1-2H3
InChIKeyAKJFHONZJTXSLD-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.74
Rot. Bonds7

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 75441719) has the molecular formula C14H17F2N3O3S and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID75441719
Molecular FormulaC14H17F2N3O3S
Molecular Weight345.37 g/mol
Exact Mass345.10
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1
InChIInChI=1S/C14H17F2N3O3S/c1-10(2)22-12-3-5-13(6-4-12)23(20,21)18-11-7-17-19(8-11)9-14(15)16/h3-8,10,14,18H,9H2,1-2H3
InChIKeyAKJFHONZJTXSLD-UHFFFAOYSA-N
XLogP2.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide (CID 75441719) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is AKJFHONZJTXSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3S/c1-10(2)22-12-3-5-13(6-4-12)23(20,21)18-11-7-17-19(8-11)9-14(15)16/h3-8,10,14,18H,9H2,1-2H3.
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 345.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 75441719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).