N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide

C25H25FN2O4S — CID 30797122

IUPACN-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1cccc(OCc2ccc(F)cc2)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H25FN2O4S/c26-21-11-9-19(10-12-21)18-32-23-6-4-5-20(17-23)25(29)28-15-13-22(14-16-28)27-33(30,31)24-7-2-1-3-8-24/h1-12,17,22,27H,13-16,18H2
InChIKeyBYHDIMYYPGBIEQ-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.99
Rot. Bonds7

About N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide

N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 30797122) has the molecular formula C25H25FN2O4S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
PubChem CID30797122
Molecular FormulaC25H25FN2O4S
Molecular Weight468.55 g/mol
Exact Mass468.15
IUPAC NameN-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1cccc(OCc2ccc(F)cc2)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H25FN2O4S/c26-21-11-9-19(10-12-21)18-32-23-6-4-5-20(17-23)25(29)28-15-13-22(14-16-28)27-33(30,31)24-7-2-1-3-8-24/h1-12,17,22,27H,13-16,18H2
InChIKeyBYHDIMYYPGBIEQ-UHFFFAOYSA-N
XLogP3.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41470195
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 17449026
[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108563317
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 33161452
ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51110016
[3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572417
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 32964503
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 30797137
[3-[(4-fluorophenyl)methoxy]phenyl]-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124944380
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide (CID 30797122) is N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide is O=C(c1cccc(OCc2ccc(F)cc2)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is BYHDIMYYPGBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4S/c26-21-11-9-19(10-12-21)18-32-23-6-4-5-20(17-23)25(29)28-15-13-22(14-16-28)27-33(30,31)24-7-2-1-3-8-24/h1-12,17,22,27H,13-16,18H2.
What are the key properties of N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 468.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 30797122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).