4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide

C19H20F2N2O3S — CID 34342091

IUPAC4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1F
InChIInChI=1S/C19H20F2N2O3S/c1-13-2-3-14(12-18(13)21)19(24)23-10-8-16(9-11-23)22-27(25,26)17-6-4-15(20)5-7-17/h2-7,12,16,22H,8-11H2,1H3
InChIKeyLTRQQRXXEYAYJV-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.86
Rot. Bonds4

About 4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide

4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 34342091) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID34342091
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Name4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1F
InChIInChI=1S/C19H20F2N2O3S/c1-13-2-3-14(12-18(13)21)19(24)23-10-8-16(9-11-23)22-27(25,26)17-6-4-15(20)5-7-17/h2-7,12,16,22H,8-11H2,1H3
InChIKeyLTRQQRXXEYAYJV-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55959537
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 38814852
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511603
4-methyl-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564412
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
tert-butyl (3R)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]pyrrolidine-1-carboxylate
CID 66560214
N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34347056

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide (CID 34342091) is 4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide is Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1F.
What is the InChIKey of 4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is LTRQQRXXEYAYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-13-2-3-14(12-18(13)21)19(24)23-10-8-16(9-11-23)22-27(25,26)17-6-4-15(20)5-7-17/h2-7,12,16,22H,8-11H2,1H3.
What are the key properties of 4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 394.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 34342091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).