N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide

C26H28F2N2O4S — CID 10300730

IUPACN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(OC)c2)C2CCN(Cc3cc(F)cc(F)c3)CC2)cc1
InChIInChI=1S/C26H28F2N2O4S/c1-33-24-6-8-26(9-7-24)35(31,32)30(23-4-3-5-25(17-23)34-2)22-10-12-29(13-11-22)18-19-14-20(27)16-21(28)15-19/h3-9,14-17,22H,10-13,18H2,1-2H3
InChIKeyKASXHPBVZXSMPG-UHFFFAOYSA-N
MW502.58 g/mol
LogP4.84
Rot. Bonds8

About N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 10300730) has the molecular formula C26H28F2N2O4S and a molecular weight of 502.58 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID10300730
Molecular FormulaC26H28F2N2O4S
Molecular Weight502.58 g/mol
Exact Mass502.17
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(OC)c2)C2CCN(Cc3cc(F)cc(F)c3)CC2)cc1
InChIInChI=1S/C26H28F2N2O4S/c1-33-24-6-8-26(9-7-24)35(31,32)30(23-4-3-5-25(17-23)34-2)22-10-12-29(13-11-22)18-19-14-20(27)16-21(28)15-19/h3-9,14-17,22H,10-13,18H2,1-2H3
InChIKeyKASXHPBVZXSMPG-UHFFFAOYSA-N
XLogP4.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-(3-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 10278440
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048407
N-(3-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858646
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
4-chloro-N-(4-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048430
4-chloro-N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46048435
N-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 59098124
N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 10113916
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 42853460
4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 46055350

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (CID 10300730) is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(c2cccc(OC)c2)C2CCN(Cc3cc(F)cc(F)c3)CC2)cc1.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is KASXHPBVZXSMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O4S/c1-33-24-6-8-26(9-7-24)35(31,32)30(23-4-3-5-25(17-23)34-2)22-10-12-29(13-11-22)18-19-14-20(27)16-21(28)15-19/h3-9,14-17,22H,10-13,18H2,1-2H3.
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 502.58 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10300730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).