(2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine

C19H23FN2O3S — CID 98750168

IUPAC(2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine
SMILESCOc1ccc([C@H]2CN(S(=O)(=O)c3ccc(F)c(C)c3)CCN2C)cc1
InChIInChI=1S/C19H23FN2O3S/c1-14-12-17(8-9-18(14)20)26(23,24)22-11-10-21(2)19(13-22)15-4-6-16(25-3)7-5-15/h4-9,12,19H,10-11,13H2,1-3H3/t19-/m1/s1
InChIKeyBDQDKQMXBHIMLB-LJQANCHMSA-N
MW378.47 g/mol
LogP2.82
Rot. Bonds4

About (2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine

(2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine (PubChem CID 98750168) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name(2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine
PubChem CID98750168
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name(2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine
SMILESCOc1ccc([C@H]2CN(S(=O)(=O)c3ccc(F)c(C)c3)CCN2C)cc1
InChIInChI=1S/C19H23FN2O3S/c1-14-12-17(8-9-18(14)20)26(23,24)22-11-10-21(2)19(13-22)15-4-6-16(25-3)7-5-15/h4-9,12,19H,10-11,13H2,1-3H3/t19-/m1/s1
InChIKeyBDQDKQMXBHIMLB-LJQANCHMSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
(2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 95110006
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
4-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
CID 110602947
2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine
CID 110418700
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
1-(3,4-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147289
4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
5-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110602954
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine?
The IUPAC name of (2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine (CID 98750168) is (2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine.
What is the SMILES notation for (2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine?
The canonical SMILES for (2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine is COc1ccc([C@H]2CN(S(=O)(=O)c3ccc(F)c(C)c3)CCN2C)cc1.
What is the InChIKey of (2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine?
The InChIKey is BDQDKQMXBHIMLB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-14-12-17(8-9-18(14)20)26(23,24)22-11-10-21(2)19(13-22)15-4-6-16(25-3)7-5-15/h4-9,12,19H,10-11,13H2,1-3H3/t19-/m1/s1.
What are the key properties of (2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine?
(2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine has a molecular weight of 378.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine is sourced from PubChem (CID 98750168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).