N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide

C29H33FN2O5S — CID 10098803

IUPACN-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(C3COCCC3(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33FN2O5S/c1-36-26-11-13-27(14-12-26)38(34,35)32(24-9-7-23(30)8-10-24)25-15-18-31(19-16-25)28-21-37-20-17-29(28,33)22-5-3-2-4-6-22/h2-14,25,28,33H,15-21H2,1H3
InChIKeyPPTNBOMZAVBNST-UHFFFAOYSA-N
MW540.66 g/mol
LogP4.17
Rot. Bonds7

About N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide

N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide (PubChem CID 10098803) has the molecular formula C29H33FN2O5S and a molecular weight of 540.66 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
PubChem CID10098803
Molecular FormulaC29H33FN2O5S
Molecular Weight540.66 g/mol
Exact Mass540.21
IUPAC NameN-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(C3COCCC3(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33FN2O5S/c1-36-26-11-13-27(14-12-26)38(34,35)32(24-9-7-23(30)8-10-24)25-15-18-31(19-16-25)28-21-37-20-17-29(28,33)22-5-3-2-4-6-22/h2-14,25,28,33H,15-21H2,1H3
InChIKeyPPTNBOMZAVBNST-UHFFFAOYSA-N
XLogP4.17
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.66
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-3-methoxybenzamide
CID 10074862
N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide
CID 11756479
N-[1-[(1R,2S)-2-hydroxy-2-pyridin-4-ylcyclohexyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 91270421
N-[1-[(1R,2S)-2-(4-chlorophenyl)-2-hydroxycyclohexyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 90925354
N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 10077105
4-chloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 91541603
4-chloro-N-(4-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048430
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 90851608
3,4-dichloro-N-[1-[2-(4-chlorophenyl)-2-hydroxycyclohexyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 90810101
N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 21206459
4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 46055350
4-chloro-N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46048435

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide (CID 10098803) is N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(C3COCCC3(O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
The InChIKey is PPTNBOMZAVBNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O5S/c1-36-26-11-13-27(14-12-26)38(34,35)32(24-9-7-23(30)8-10-24)25-15-18-31(19-16-25)28-21-37-20-17-29(28,33)22-5-3-2-4-6-22/h2-14,25,28,33H,15-21H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide has a molecular weight of 540.66 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 10098803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).