1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

C19H23FN2O3S — CID 3754471

IUPAC1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-15-3-6-17(20)13-19(15)26(23,24)22-11-9-21(10-12-22)14-16-4-7-18(25-2)8-5-16/h3-8,13H,9-12,14H2,1-2H3
InChIKeySSLSUIKBERUPGG-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.65
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 3754471) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID3754471
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-15-3-6-17(20)13-19(15)26(23,24)22-11-9-21(10-12-22)14-16-4-7-18(25-2)8-5-16/h3-8,13H,9-12,14H2,1-2H3
InChIKeySSLSUIKBERUPGG-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 118676065
2-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetic acid
CID 11625610
1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746
1-[(4-fluorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 110398703
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 35881835
4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
CID 3754185
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 39627744
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 110709179
1-[(4-tert-butylphenyl)methyl]-4-(2-chloro-4-fluorophenyl)sulfonylpiperazine
CID 3766519
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 17456022
1-[(3-chlorophenyl)methyl]-4-(4-methoxy-2-methylphenyl)sulfonylpiperazine
CID 110399108
1-(5-fluoro-2-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117440

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (CID 3754471) is 1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cc1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The InChIKey is SSLSUIKBERUPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-15-3-6-17(20)13-19(15)26(23,24)22-11-9-21(10-12-22)14-16-4-7-18(25-2)8-5-16/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 378.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3754471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).