N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide

C19H18Cl3N3O4S — CID 46570709

IUPACN-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)ccc1Cl
InChIInChI=1S/C19H18Cl3N3O4S/c20-14-5-4-12(10-13(14)18(23)26)24-19(27)11-6-8-25(9-7-11)30(28,29)17-15(21)2-1-3-16(17)22/h1-5,10-11H,6-9H2,(H2,23,26)(H,24,27)
InChIKeyKZJJTFJEYKUNTR-UHFFFAOYSA-N
MW490.80 g/mol
LogP3.79
Rot. Bonds5

About N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide

N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 46570709) has the molecular formula C19H18Cl3N3O4S and a molecular weight of 490.80 g/mol. Its IUPAC name is N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID46570709
Molecular FormulaC19H18Cl3N3O4S
Molecular Weight490.80 g/mol
Exact Mass489.01
IUPAC NameN-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)ccc1Cl
InChIInChI=1S/C19H18Cl3N3O4S/c20-14-5-4-12(10-13(14)18(23)26)24-19(27)11-6-8-25(9-7-11)30(28,29)17-15(21)2-1-3-16(17)22/h1-5,10-11H,6-9H2,(H2,23,26)(H,24,27)
InChIKeyKZJJTFJEYKUNTR-UHFFFAOYSA-N
XLogP3.79
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.80
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(4-carbamoyl-3-chlorophenyl)piperidine-4-carboxamide
CID 39170705
N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39213693
N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26727729
1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 34033160
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
methyl 2-chloro-5-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 38238190
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
N-(3-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26114411
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 126184126
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide (CID 46570709) is N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide is NC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)ccc1Cl.
What is the InChIKey of N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KZJJTFJEYKUNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O4S/c20-14-5-4-12(10-13(14)18(23)26)24-19(27)11-6-8-25(9-7-11)30(28,29)17-15(21)2-1-3-16(17)22/h1-5,10-11H,6-9H2,(H2,23,26)(H,24,27).
What are the key properties of N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 490.80 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46570709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).