N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide

C18H17Cl2F2N3O3S — CID 16577110

IUPACN-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESNc1c(Cl)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1Cl
InChIInChI=1S/C18H17Cl2F2N3O3S/c19-13-7-11(8-14(20)17(13)23)24-18(26)10-3-5-25(6-4-10)29(27,28)12-1-2-15(21)16(22)9-12/h1-2,7-10H,3-6,23H2,(H,24,26)
InChIKeyCJESFXNENQLMMG-UHFFFAOYSA-N
MW464.32 g/mol
LogP3.89
Rot. Bonds4

About N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide

N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16577110) has the molecular formula C18H17Cl2F2N3O3S and a molecular weight of 464.32 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16577110
Molecular FormulaC18H17Cl2F2N3O3S
Molecular Weight464.32 g/mol
Exact Mass463.03
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESNc1c(Cl)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1Cl
InChIInChI=1S/C18H17Cl2F2N3O3S/c19-13-7-11(8-14(20)17(13)23)24-18(26)10-3-5-25(6-4-10)29(27,28)12-1-2-15(21)16(22)9-12/h1-2,7-10H,3-6,23H2,(H,24,26)
InChIKeyCJESFXNENQLMMG-UHFFFAOYSA-N
XLogP3.89
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46554409
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 26914170
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-[4-(difluoromethoxy)phenyl]-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26800860
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
1-(4-acetylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 26695995
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 39752606
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 39752679
1-(3,4-difluorophenyl)sulfonyl-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 26729067

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide (CID 16577110) is N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide is Nc1c(Cl)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CJESFXNENQLMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F2N3O3S/c19-13-7-11(8-14(20)17(13)23)24-18(26)10-3-5-25(6-4-10)29(27,28)12-1-2-15(21)16(22)9-12/h1-2,7-10H,3-6,23H2,(H,24,26).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 464.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16577110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).