1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide

C17H22ClFN2O3S — CID 131925013

IUPAC1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESO=C(C1CC1)N1CCCC(CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C17H22ClFN2O3S/c18-15-6-5-14(16(19)8-15)11-25(23,24)20-9-12-2-1-7-21(10-12)17(22)13-3-4-13/h5-6,8,12-13,20H,1-4,7,9-11H2
InChIKeyAYWIDAGNGMAGFP-UHFFFAOYSA-N
MW388.89 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide

1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 131925013) has the molecular formula C17H22ClFN2O3S and a molecular weight of 388.89 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID131925013
Molecular FormulaC17H22ClFN2O3S
Molecular Weight388.89 g/mol
Exact Mass388.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESO=C(C1CC1)N1CCCC(CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C17H22ClFN2O3S/c18-15-6-5-14(16(19)8-15)11-25(23,24)20-9-12-2-1-7-21(10-12)17(22)13-3-4-13/h5-6,8,12-13,20H,1-4,7,9-11H2
InChIKeyAYWIDAGNGMAGFP-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.89
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)(phenyl)methanesulfonamide
CID 57888688
N-[2-(4-chlorophenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3245010
N-(3-{[2-(4-chlorophenyl)ethyl]amino}-3-oxopropyl)-1-[(4-fluorophenyl)sulfonyl]piperidine-4-carboxamide
CID 17584870
1-[(2-Chlorobenzyl)sulfonyl]-4-piperidinecarboxamide
CID 847801
1-(benzylsulfonyl)-N-{2-[(4-chlorobenzyl)sulfanyl]ethyl}piperidine-4-carboxamide
CID 16016466
N-[2-(4-chlorophenyl)ethyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3243460
N-(2-chloro-4-fluorobenzyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3244069
1-(benzylsulfonyl)-N-(4-chlorobenzyl)piperidine-4-carboxamide
CID 16016467
1-(benzylsulfonyl)-N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}piperidine-4-carboxamide
CID 16016509
2-(2-chloro-6-fluorophenyl)-N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)acetamide
CID 71806863
2-({1-[3-(4-chloro-3-fluorophenyl)propanoyl]piperidin-4-yl}sulfonyl)-N-methylacetamide
CID 71809132
5-[1-[(3-Fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201739

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide (CID 131925013) is 1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide is O=C(C1CC1)N1CCCC(CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is AYWIDAGNGMAGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O3S/c18-15-6-5-14(16(19)8-15)11-25(23,24)20-9-12-2-1-7-21(10-12)17(22)13-3-4-13/h5-6,8,12-13,20H,1-4,7,9-11H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide?
1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 388.89 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131925013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).