1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine

C20H26FN3O2S — CID 171906693

IUPAC1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(C)C)CC2)cc1-c1cncc(F)c1
InChIInChI=1S/C20H26FN3O2S/c1-14(2)23-5-7-24(8-6-23)27(25,26)20-11-19(15(3)9-16(20)4)17-10-18(21)13-22-12-17/h9-14H,5-8H2,1-4H3
InChIKeyUTUPLXPKUYVHHU-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.22
Rot. Bonds4

About 1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine

1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine (PubChem CID 171906693) has the molecular formula C20H26FN3O2S and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine
PubChem CID171906693
Molecular FormulaC20H26FN3O2S
Molecular Weight391.51 g/mol
Exact Mass391.17
IUPAC Name1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(C)C)CC2)cc1-c1cncc(F)c1
InChIInChI=1S/C20H26FN3O2S/c1-14(2)23-5-7-24(8-6-23)27(25,26)20-11-19(15(3)9-16(20)4)17-10-18(21)13-22-12-17/h9-14H,5-8H2,1-4H3
InChIKeyUTUPLXPKUYVHHU-UHFFFAOYSA-N
XLogP3.22
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 114625187
2-[4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-1-yl]propanethioamide
CID 63342076
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
CID 46100949
(1S,5R)-6-[2-(5-fluoro-3-pyridinyl)-4,5-dimethylphenyl]sulfonyl-3-methyl-3,6-diazabicyclo[3.2.2]nonane
CID 171912112
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
5-methyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63329080
1-(3-chloro-2-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47203381
ethane;5-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]sulfonyl-2,4-dimethylbenzoic acid
CID 142349168
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072902
1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47117988
2-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 43584968
3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine
CID 171915077

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine (CID 171906693) is 1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine is Cc1cc(C)c(S(=O)(=O)N2CCN(C(C)C)CC2)cc1-c1cncc(F)c1.
What is the InChIKey of 1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine?
The InChIKey is UTUPLXPKUYVHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2S/c1-14(2)23-5-7-24(8-6-23)27(25,26)20-11-19(15(3)9-16(20)4)17-10-18(21)13-22-12-17/h9-14H,5-8H2,1-4H3.
What are the key properties of 1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine?
1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine has a molecular weight of 391.51 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-fluoro-3-pyridinyl)-2,4-dimethylphenyl]sulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 171906693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).