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

C26H28F2N2O3S — CID 46048408

IUPAC4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccccc1CN1CCC(N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H28F2N2O3S/c1-19-7-10-23(17-25(19)28)30(34(31,32)24-11-8-21(27)9-12-24)22-13-15-29(16-14-22)18-20-5-3-4-6-26(20)33-2/h3-12,17,22H,13-16,18H2,1-2H3
InChIKeyYEUDOOYIPNVTPN-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.14
Rot. Bonds7

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

4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 46048408) 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-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID46048408
Molecular FormulaC26H28F2N2O3S
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccccc1CN1CCC(N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H28F2N2O3S/c1-19-7-10-23(17-25(19)28)30(34(31,32)24-11-8-21(27)9-12-24)22-13-15-29(16-14-22)18-20-5-3-4-6-26(20)33-2/h3-12,17,22H,13-16,18H2,1-2H3
InChIKeyYEUDOOYIPNVTPN-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

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Related Compounds

4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048407
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 46055255
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055339
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 46055336
N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46055209
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46052093
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46052106
4-chloro-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46055143
N-(1,3-benzodioxol-5-yl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 46055298
4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 46055350
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 42853460
N-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 59098124

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide (CID 46048408) is 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide is COc1ccccc1CN1CCC(N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is YEUDOOYIPNVTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O3S/c1-19-7-10-23(17-25(19)28)30(34(31,32)24-11-8-21(27)9-12-24)22-13-15-29(16-14-22)18-20-5-3-4-6-26(20)33-2/h3-12,17,22H,13-16,18H2,1-2H3.
What are the key properties of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-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-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46048408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).