N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide

C12H13ClFN3O2S — CID 17374646

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C12H13ClFN3O2S/c1-2-20(18,19)16-12-6-7-17(15-12)8-9-10(13)4-3-5-11(9)14/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyWKFYYYJZRXCYBC-UHFFFAOYSA-N
MW317.77 g/mol
LogP2.49
Rot. Bonds5

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide (PubChem CID 17374646) has the molecular formula C12H13ClFN3O2S and a molecular weight of 317.77 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide
PubChem CID17374646
Molecular FormulaC12H13ClFN3O2S
Molecular Weight317.77 g/mol
Exact Mass317.04
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C12H13ClFN3O2S/c1-2-20(18,19)16-12-6-7-17(15-12)8-9-10(13)4-3-5-11(9)14/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyWKFYYYJZRXCYBC-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide 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-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide (CID 17374646) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide?
The InChIKey is WKFYYYJZRXCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O2S/c1-2-20(18,19)16-12-6-7-17(15-12)8-9-10(13)4-3-5-11(9)14/h3-7H,2,8H2,1H3,(H,15,16).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide has a molecular weight of 317.77 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide is sourced from PubChem (CID 17374646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).