(3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine

C14H16FN3O3S — CID 125022582

IUPAC(3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine
SMILESCc1cn[nH]c1[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H16FN3O3S/c1-10-8-16-17-14(10)13-9-21-6-5-18(13)22(19,20)12-4-2-3-11(15)7-12/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyYRNPLEKQTHBHMF-CYBMUJFWSA-N
MW325.37 g/mol
LogP1.62
Rot. Bonds3

About (3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine

(3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine (PubChem CID 125022582) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is (3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine
PubChem CID125022582
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name(3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine
SMILESCc1cn[nH]c1[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H16FN3O3S/c1-10-8-16-17-14(10)13-9-21-6-5-18(13)22(19,20)12-4-2-3-11(15)7-12/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyYRNPLEKQTHBHMF-CYBMUJFWSA-N
XLogP1.62
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45171384
1-[(4-fluorophenyl)sulfonyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45250431
4-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine
CID 110132443
11-Methyl-8-[4-(trifluoromethyl)phenyl]sulfonyl-10-oxa-3,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4-triene
CID 67505115
[(4R)-4-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-yl]methanol
CID 68244047
7,7-Difluoro-12-(2-methylphenyl)sulfonyl-10-oxa-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 121308613
5-(4-Fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 141153499
(2S,6R)-2-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methyl-4-(4-methylphenyl)sulfonylmorpholine
CID 169708679
(3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 26360100
(3S)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 26360102
(3R)-1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 26397121
(3S)-1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 26397124

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
The IUPAC name of (3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine (CID 125022582) is (3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for (3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
The canonical SMILES for (3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine is Cc1cn[nH]c1[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of (3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
The InChIKey is YRNPLEKQTHBHMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-10-8-16-17-14(10)13-9-21-6-5-18(13)22(19,20)12-4-2-3-11(15)7-12/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
(3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine has a molecular weight of 325.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 125022582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).