N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide

C13H15F2N3O2S — CID 22204140

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C13H15F2N3O2S/c1-3-18-9-10(7-16-18)8-17(2)21(19,20)13-5-4-11(14)6-12(13)15/h4-7,9H,3,8H2,1-2H3
InChIKeyJSPQGPDIGHBCFK-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.00
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide

N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 22204140) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID22204140
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C13H15F2N3O2S/c1-3-18-9-10(7-16-18)8-17(2)21(19,20)13-5-4-11(14)6-12(13)15/h4-7,9H,3,8H2,1-2H3
InChIKeyJSPQGPDIGHBCFK-UHFFFAOYSA-N
XLogP2.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N,2,4,6-tetramethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 896677
3-(1-ethyl-1H-pyrazol-4-yl)-2-(phenylsulfonyl)acrylonitrile
CID 971404
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-(1-Ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 6467767
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
CID 3277554
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-(propan-2-yl)benzenesulfonamide
CID 22204129
1-benzyl-1H-pyrazole-4-sulfonyl chloride
CID 43531756
2,5-difluoro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 17376057
4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 19577768
N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 19582066
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204121
2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204139

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide (CID 22204140) is N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide is CCn1cc(CN(C)S(=O)(=O)c2ccc(F)cc2F)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is JSPQGPDIGHBCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-3-18-9-10(7-16-18)8-17(2)21(19,20)13-5-4-11(14)6-12(13)15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 22204140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).