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

C13H16ClN3O3S — CID 60959564

IUPACN-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O3S/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)
InChIKeyLFNJGILSRUUZED-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.07
Rot. Bonds6

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

N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 60959564) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID60959564
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O3S/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)
InChIKeyLFNJGILSRUUZED-UHFFFAOYSA-N
XLogP2.07
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60912110
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692013
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide
CID 115640454
N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine
CID 52580356
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8797974
2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2439982
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578391
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 60959564) is N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LFNJGILSRUUZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/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-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).