1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide

C19H23FN2O4S2 — CID 55530270

IUPAC1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H23FN2O4S2/c20-18-8-4-17(5-9-18)15-27(23,24)21-14-16-6-10-19(11-7-16)28(25,26)22-12-2-1-3-13-22/h4-11,21H,1-3,12-15H2
InChIKeyZJQSXQYICHJFOI-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.62
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide (PubChem CID 55530270) has the molecular formula C19H23FN2O4S2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
PubChem CID55530270
Molecular FormulaC19H23FN2O4S2
Molecular Weight426.54 g/mol
Exact Mass426.11
IUPAC Name1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H23FN2O4S2/c20-18-8-4-17(5-9-18)15-27(23,24)21-14-16-6-10-19(11-7-16)28(25,26)22-12-2-1-3-13-22/h4-11,21H,1-3,12-15H2
InChIKeyZJQSXQYICHJFOI-UHFFFAOYSA-N
XLogP2.62
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 28554565
2-[4-(azepan-1-ylsulfonyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31054392
4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248777
1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide
CID 55913883
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
1-ethyl-3-[(4-fluorophenyl)methyl]-2-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine
CID 111232179
1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 119109823

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide (CID 55530270) is 1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide?
The InChIKey is ZJQSXQYICHJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S2/c20-18-8-4-17(5-9-18)15-27(23,24)21-14-16-6-10-19(11-7-16)28(25,26)22-12-2-1-3-13-22/h4-11,21H,1-3,12-15H2.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide has a molecular weight of 426.54 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 55530270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).