2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide

C18H25ClN4O4S — CID 127248548

IUPAC2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCOC(c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1
InChIInChI=1S/C18H25ClN4O4S/c1-21(2)28(24,25)23-9-11-27-18(13-23)17-12-15(22(3)20-17)8-10-26-16-6-4-14(19)5-7-16/h4-7,12,18H,8-11,13H2,1-3H3
InChIKeyZJZPCAPKOURGGG-UHFFFAOYSA-N
MW428.94 g/mol
LogP1.87
Rot. Bonds7

About 2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide

2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide (PubChem CID 127248548) has the molecular formula C18H25ClN4O4S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
PubChem CID127248548
Molecular FormulaC18H25ClN4O4S
Molecular Weight428.94 g/mol
Exact Mass428.13
IUPAC Name2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCOC(c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1
InChIInChI=1S/C18H25ClN4O4S/c1-21(2)28(24,25)23-9-11-27-18(13-23)17-12-15(22(3)20-17)8-10-26-16-6-4-14(19)5-7-16/h4-7,12,18H,8-11,13H2,1-3H3
InChIKeyZJZPCAPKOURGGG-UHFFFAOYSA-N
XLogP1.87
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 124968540
2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 127248543
2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127250740
(2S)-N,N-dimethyl-2-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-sulfonamide
CID 125015961
(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide
CID 124983011
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 125001302
2-(4-chlorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 47320271
2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124948203
(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 124979333
(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124991331
N-[2-[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 124978380
N,N-dimethyl-2-(2-methylpyrimidin-4-yl)morpholine-4-sulfonamide
CID 110096221

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
The IUPAC name of 2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide (CID 127248548) is 2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for 2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for 2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide is CN(C)S(=O)(=O)N1CCOC(c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1.
What is the InChIKey of 2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
The InChIKey is ZJZPCAPKOURGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O4S/c1-21(2)28(24,25)23-9-11-27-18(13-23)17-12-15(22(3)20-17)8-10-26-16-6-4-14(19)5-7-16/h4-7,12,18H,8-11,13H2,1-3H3.
What are the key properties of 2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide has a molecular weight of 428.94 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 127248548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).