N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide

C26H29FN2O2S — CID 46048468

IUPACN-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C26H29FN2O2S/c1-20-6-5-8-22(18-20)19-28-16-14-25(15-17-28)29(24-12-10-23(27)11-13-24)32(30,31)26-9-4-3-7-21(26)2/h3-13,18,25H,14-17,19H2,1-2H3
InChIKeyMHILDAAKXPNOMR-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.30
Rot. Bonds6

About N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide

N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 46048468) has the molecular formula C26H29FN2O2S and a molecular weight of 452.60 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID46048468
Molecular FormulaC26H29FN2O2S
Molecular Weight452.60 g/mol
Exact Mass452.19
IUPAC NameN-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C26H29FN2O2S/c1-20-6-5-8-22(18-20)19-28-16-14-25(15-17-28)29(24-12-10-23(27)11-13-24)32(30,31)26-9-4-3-7-21(26)2/h3-13,18,25H,14-17,19H2,1-2H3
InChIKeyMHILDAAKXPNOMR-UHFFFAOYSA-N
XLogP5.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42853466
N-(4-fluorophenyl)-3-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055379
N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048407
3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055270
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163349558
3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46055277
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46052106
N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055313
N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055393

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide (CID 46048468) is N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide is Cc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is MHILDAAKXPNOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O2S/c1-20-6-5-8-22(18-20)19-28-16-14-25(15-17-28)29(24-12-10-23(27)11-13-24)32(30,31)26-9-4-3-7-21(26)2/h3-13,18,25H,14-17,19H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 452.60 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46048468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).