(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide

C20H29FN4O4S — CID 124983011

IUPAC(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3cccc(F)c3)n(C)n2)C1
InChIInChI=1S/C20H29FN4O4S/c1-4-24(5-2)30(26,27)25-10-12-29-20(15-25)19-14-17(23(3)22-19)9-11-28-18-8-6-7-16(21)13-18/h6-8,13-14,20H,4-5,9-12,15H2,1-3H3/t20-/m1/s1
InChIKeyNAZWVLPVOWTKKL-HXUWFJFHSA-N
MW440.54 g/mol
LogP2.14
Rot. Bonds9

About (2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide

(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide (PubChem CID 124983011) has the molecular formula C20H29FN4O4S and a molecular weight of 440.54 g/mol. Its IUPAC name is (2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide
PubChem CID124983011
Molecular FormulaC20H29FN4O4S
Molecular Weight440.54 g/mol
Exact Mass440.19
IUPAC Name(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3cccc(F)c3)n(C)n2)C1
InChIInChI=1S/C20H29FN4O4S/c1-4-24(5-2)30(26,27)25-10-12-29-20(15-25)19-14-17(23(3)22-19)9-11-28-18-8-6-7-16(21)13-18/h6-8,13-14,20H,4-5,9-12,15H2,1-3H3/t20-/m1/s1
InChIKeyNAZWVLPVOWTKKL-HXUWFJFHSA-N
XLogP2.14
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.14
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-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127248548
2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
CID 127248576
2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 127248607
(2R)-2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-propylmorpholine
CID 125003381
(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124991331
2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127250740
3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide
CID 110261321
(2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide
CID 125000431
(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 124979333
(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]-2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124986280

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide?
The IUPAC name of (2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide (CID 124983011) is (2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide.
What is the SMILES notation for (2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide?
The canonical SMILES for (2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide is CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3cccc(F)c3)n(C)n2)C1.
What is the InChIKey of (2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide?
The InChIKey is NAZWVLPVOWTKKL-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29FN4O4S/c1-4-24(5-2)30(26,27)25-10-12-29-20(15-25)19-14-17(23(3)22-19)9-11-28-18-8-6-7-16(21)13-18/h6-8,13-14,20H,4-5,9-12,15H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide?
(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide has a molecular weight of 440.54 g/mol, XLogP of 2.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 124983011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).