N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide

C21H23ClN2O4S — CID 71251914

IUPACN-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H23ClN2O4S/c1-29(27,28)23-14-15-2-4-18(5-3-15)21(26)24-12-10-17(11-13-24)20(25)16-6-8-19(22)9-7-16/h2-9,17,23H,10-14H2,1H3
InChIKeyQTHBNCDUHRCUHX-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.12
Rot. Bonds6

About N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide

N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide (PubChem CID 71251914) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide
PubChem CID71251914
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC NameN-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H23ClN2O4S/c1-29(27,28)23-14-15-2-4-18(5-3-15)21(26)24-12-10-17(11-13-24)20(25)16-6-8-19(22)9-7-16/h2-9,17,23H,10-14H2,1H3
InChIKeyQTHBNCDUHRCUHX-UHFFFAOYSA-N
XLogP3.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
[1-(4-chloro-3-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155535689
[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155515611
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
N-[(4-chlorophenyl)methyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 1301555
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
(4-chlorophenyl)-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414892

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide (CID 71251914) is N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide?
The InChIKey is QTHBNCDUHRCUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4S/c1-29(27,28)23-14-15-2-4-18(5-3-15)21(26)24-12-10-17(11-13-24)20(25)16-6-8-19(22)9-7-16/h2-9,17,23H,10-14H2,1H3.
What are the key properties of N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide?
N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide has a molecular weight of 434.95 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 71251914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).