N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide

C16H22Cl2N2O3S — CID 44591952

IUPACN-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O3S/c1-11(2)24(22,23)20-7-5-12(6-8-20)16(21)19-10-13-3-4-14(17)9-15(13)18/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyLREVUDJPGUCZPB-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.06
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 44591952) has the molecular formula C16H22Cl2N2O3S and a molecular weight of 393.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID44591952
Molecular FormulaC16H22Cl2N2O3S
Molecular Weight393.34 g/mol
Exact Mass392.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O3S/c1-11(2)24(22,23)20-7-5-12(6-8-20)16(21)19-10-13-3-4-14(17)9-15(13)18/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyLREVUDJPGUCZPB-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,5-dimethylphenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 44591948
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 126363982
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53283175
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53283326
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 167981659
1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 1004020
N-[(2,4-dichlorophenyl)methyl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126060422
N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 61356516
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide (CID 44591952) is N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide is CC(C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is LREVUDJPGUCZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3S/c1-11(2)24(22,23)20-7-5-12(6-8-20)16(21)19-10-13-3-4-14(17)9-15(13)18/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 393.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 44591952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).