N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide

C15H22N4O3S — CID 56802965

IUPACN,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCNCCn2cccn2)cc1
InChIInChI=1S/C15H22N4O3S/c1-18(2)23(20,21)15-6-4-14(5-7-15)22-13-10-16-9-12-19-11-3-8-17-19/h3-8,11,16H,9-10,12-13H2,1-2H3
InChIKeyLLYMSXGLOXPMTF-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.80
Rot. Bonds9

About N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide

N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide (PubChem CID 56802965) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide
PubChem CID56802965
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCNCCn2cccn2)cc1
InChIInChI=1S/C15H22N4O3S/c1-18(2)23(20,21)15-6-4-14(5-7-15)22-13-10-16-9-12-19-11-3-8-17-19/h3-8,11,16H,9-10,12-13H2,1-2H3
InChIKeyLLYMSXGLOXPMTF-UHFFFAOYSA-N
XLogP0.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 155560404
4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 8933113
N-(2-ethoxyphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508661
4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 4089498
N-({1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-4-methoxybenzenesulfonamide
CID 24793239
N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 31912961
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide
CID 45822307
N-[2-(4-fluorophenoxy)ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45822310
N-[2-(4-methoxyphenoxy)ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45822344
N,1-dimethyl-N-(3-phenoxypropyl)pyrazole-4-sulfonamide
CID 45822470
N-[3-(4-fluorophenoxy)propyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45825514
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 49678061

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide (CID 56802965) is N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCCNCCn2cccn2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide?
The InChIKey is LLYMSXGLOXPMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-18(2)23(20,21)15-6-4-14(5-7-15)22-13-10-16-9-12-19-11-3-8-17-19/h3-8,11,16H,9-10,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide?
N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 0.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide is sourced from PubChem (CID 56802965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).