4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide

C26H28F2N2O3S — CID 46048407

IUPAC4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1cccc(CN2CCC(N(c3ccc(C)c(F)c3)S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H28F2N2O3S/c1-19-6-9-23(17-26(19)28)30(34(31,32)25-10-7-21(27)8-11-25)22-12-14-29(15-13-22)18-20-4-3-5-24(16-20)33-2/h3-11,16-17,22H,12-15,18H2,1-2H3
InChIKeyBAJWFVRAYVMWMT-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.14
Rot. Bonds7

About 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide

4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 46048407) has the molecular formula C26H28F2N2O3S and a molecular weight of 486.58 g/mol. Its IUPAC name is 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID46048407
Molecular FormulaC26H28F2N2O3S
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1cccc(CN2CCC(N(c3ccc(C)c(F)c3)S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H28F2N2O3S/c1-19-6-9-23(17-26(19)28)30(34(31,32)25-10-7-21(27)8-11-25)22-12-14-29(15-13-22)18-20-4-3-5-24(16-20)33-2/h3-11,16-17,22H,12-15,18H2,1-2H3
InChIKeyBAJWFVRAYVMWMT-UHFFFAOYSA-N
XLogP5.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 10278440
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048408
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10300730
4-chloro-N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46048435
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 42853460
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055339
4-chloro-N-(4-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048430
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 46055336
N-(3-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858646

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide (CID 46048407) is 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide is COc1cccc(CN2CCC(N(c3ccc(C)c(F)c3)S(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is BAJWFVRAYVMWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O3S/c1-19-6-9-23(17-26(19)28)30(34(31,32)25-10-7-21(27)8-11-25)22-12-14-29(15-13-22)18-20-4-3-5-24(16-20)33-2/h3-11,16-17,22H,12-15,18H2,1-2H3.
What are the key properties of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 486.58 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46048407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).