N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide

C19H18Cl2FN3O4S — CID 39213693

IUPACN-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ccc1F
InChIInChI=1S/C19H18Cl2FN3O4S/c20-12-1-3-15(21)17(9-12)30(28,29)25-7-5-11(6-8-25)19(27)24-13-2-4-16(22)14(10-13)18(23)26/h1-4,9-11H,5-8H2,(H2,23,26)(H,24,27)
InChIKeyAXLVFSWBLYRMEE-UHFFFAOYSA-N
MW474.34 g/mol
LogP3.27
Rot. Bonds5

About N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide

N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 39213693) has the molecular formula C19H18Cl2FN3O4S and a molecular weight of 474.34 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID39213693
Molecular FormulaC19H18Cl2FN3O4S
Molecular Weight474.34 g/mol
Exact Mass473.04
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ccc1F
InChIInChI=1S/C19H18Cl2FN3O4S/c20-12-1-3-15(21)17(9-12)30(28,29)25-7-5-11(6-8-25)19(27)24-13-2-4-16(22)14(10-13)18(23)26/h1-4,9-11H,5-8H2,(H2,23,26)(H,24,27)
InChIKeyAXLVFSWBLYRMEE-UHFFFAOYSA-N
XLogP3.27
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26114411
N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 46570709
1-(2,5-dichlorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 46651843
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
1-(2,5-dichlorophenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358144
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 1303925
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131366
1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 26515800
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
1-(benzenesulfonyl)-N-(4-carbamoyl-3-chlorophenyl)piperidine-4-carboxamide
CID 39170705
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396495

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide (CID 39213693) is N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide is NC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ccc1F.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is AXLVFSWBLYRMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN3O4S/c20-12-1-3-15(21)17(9-12)30(28,29)25-7-5-11(6-8-25)19(27)24-13-2-4-16(22)14(10-13)18(23)26/h1-4,9-11H,5-8H2,(H2,23,26)(H,24,27).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 474.34 g/mol, XLogP of 3.27, 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-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 39213693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).