1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide

C19H29Cl2N3O3S — CID 24650065

IUPAC1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N(C)C
InChIInChI=1S/C19H29Cl2N3O3S/c1-13(2)17(23(3)4)12-22-19(25)14-8-10-24(11-9-14)28(26,27)18-15(20)6-5-7-16(18)21/h5-7,13-14,17H,8-12H2,1-4H3,(H,22,25)
InChIKeyLZRZSWGGTBXTHH-UHFFFAOYSA-N
MW450.43 g/mol
LogP3.10
Rot. Bonds7

About 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide

1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide (PubChem CID 24650065) has the molecular formula C19H29Cl2N3O3S and a molecular weight of 450.43 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
PubChem CID24650065
Molecular FormulaC19H29Cl2N3O3S
Molecular Weight450.43 g/mol
Exact Mass449.13
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N(C)C
InChIInChI=1S/C19H29Cl2N3O3S/c1-13(2)17(23(3)4)12-22-19(25)14-8-10-24(11-9-14)28(26,27)18-15(20)6-5-7-16(18)21/h5-7,13-14,17H,8-12H2,1-4H3,(H,22,25)
InChIKeyLZRZSWGGTBXTHH-UHFFFAOYSA-N
XLogP3.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650068
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55721126
methyl 4-[[[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate
CID 46561005
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 42940236
1-(2,6-dichlorophenyl)sulfonyl-N-[3-(N-methylanilino)propyl]piperidine-4-carboxamide
CID 27024550
1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46466616
1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577188
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 98701102
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 36917432
1-(2,5-dichlorophenyl)sulfonyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78803662
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 2482379

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide (CID 24650065) is 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide is CC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N(C)C.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide?
The InChIKey is LZRZSWGGTBXTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl2N3O3S/c1-13(2)17(23(3)4)12-22-19(25)14-8-10-24(11-9-14)28(26,27)18-15(20)6-5-7-16(18)21/h5-7,13-14,17H,8-12H2,1-4H3,(H,22,25).
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide?
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide has a molecular weight of 450.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide is sourced from PubChem (CID 24650065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).