N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H16FN3O3S — CID 60912110

IUPACN-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O3S/c1-10-13(9-15-16-10)21(18,19)17(2)7-8-20-12-5-3-11(14)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyLJNDRVUWPGLHLO-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.56
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 60912110) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID60912110
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O3S/c1-10-13(9-15-16-10)21(18,19)17(2)7-8-20-12-5-3-11(14)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyLJNDRVUWPGLHLO-UHFFFAOYSA-N
XLogP1.56
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959564
N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 61363430
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
2,4-difluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 78870952
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544727
1-bromo-N-[2-(4-fluorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83093376
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383893
N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide
CID 115640454
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692013

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 60912110) is N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LJNDRVUWPGLHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c1-10-13(9-15-16-10)21(18,19)17(2)7-8-20-12-5-3-11(14)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 313.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60912110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).