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

C12H14ClN3O3S — CID 102692013

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H14ClN3O3S/c1-16(20(17,18)12-6-7-14-15-12)8-9-19-11-4-2-10(13)3-5-11/h2-7H,8-9H2,1H3,(H,14,15)
InChIKeyVTLOLYYWFXDXTF-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.76
Rot. Bonds6

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

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide (PubChem CID 102692013) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
PubChem CID102692013
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H14ClN3O3S/c1-16(20(17,18)12-6-7-14-15-12)8-9-19-11-4-2-10(13)3-5-11/h2-7H,8-9H2,1H3,(H,14,15)
InChIKeyVTLOLYYWFXDXTF-UHFFFAOYSA-N
XLogP1.76
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.76
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-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 107206389
N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691082
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
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
N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102693924
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60912110
N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide
CID 102692275
1-[2-(4-chlorophenoxy)ethyl]-1,2-dimethyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111308116
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693045
2-[[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]methyl]-3-methylbutanoic acid
CID 21259088

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide (CID 102692013) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide is CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The InChIKey is VTLOLYYWFXDXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c1-16(20(17,18)12-6-7-14-15-12)8-9-19-11-4-2-10(13)3-5-11/h2-7H,8-9H2,1H3,(H,14,15).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide has a molecular weight of 315.78 g/mol, XLogP of 1.76, 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-methyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).