N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide

C21H24ClFN2O5S — CID 34340171

IUPACN-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCCOc1c(Cl)cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C21H24ClFN2O5S/c1-3-30-20-18(22)12-14(13-19(20)29-2)21(26)25-10-8-16(9-11-25)24-31(27,28)17-6-4-15(23)5-7-17/h4-7,12-13,16,24H,3,8-11H2,1-2H3
InChIKeyCABIRZAOHCXQPJ-UHFFFAOYSA-N
MW470.95 g/mol
LogP3.47
Rot. Bonds7

About N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide

N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 34340171) has the molecular formula C21H24ClFN2O5S and a molecular weight of 470.95 g/mol. Its IUPAC name is N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID34340171
Molecular FormulaC21H24ClFN2O5S
Molecular Weight470.95 g/mol
Exact Mass470.11
IUPAC NameN-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCCOc1c(Cl)cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C21H24ClFN2O5S/c1-3-30-20-18(22)12-14(13-19(20)29-2)21(26)25-10-8-16(9-11-25)24-31(27,28)17-6-4-15(23)5-7-17/h4-7,12-13,16,24H,3,8-11H2,1-2H3
InChIKeyCABIRZAOHCXQPJ-UHFFFAOYSA-N
XLogP3.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.95
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33168370
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
CID 108563446
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 78768166
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45427120
(4-butoxy-3-chloro-5-methoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4824145
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
(3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17476571
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 26865865
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 167837907
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide (CID 34340171) is N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide is CCOc1c(Cl)cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is CABIRZAOHCXQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O5S/c1-3-30-20-18(22)12-14(13-19(20)29-2)21(26)25-10-8-16(9-11-25)24-31(27,28)17-6-4-15(23)5-7-17/h4-7,12-13,16,24H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 470.95 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 34340171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).