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

C18H17Cl2FN2O3S — CID 90589813

IUPACN-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17Cl2FN2O3S/c19-16-6-3-13(11-17(16)20)22-18(24)23-9-7-15(8-10-23)27(25,26)14-4-1-12(21)2-5-14/h1-6,11,15H,7-10H2,(H,22,24)
InChIKeyVMLFKMJTCORNFE-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.60
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 90589813) has the molecular formula C18H17Cl2FN2O3S and a molecular weight of 431.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
PubChem CID90589813
Molecular FormulaC18H17Cl2FN2O3S
Molecular Weight431.32 g/mol
Exact Mass430.03
IUPAC NameN-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17Cl2FN2O3S/c19-16-6-3-13(11-17(16)20)22-18(24)23-9-7-15(8-10-23)27(25,26)14-4-1-12(21)2-5-14/h1-6,11,15H,7-10H2,(H,22,24)
InChIKeyVMLFKMJTCORNFE-UHFFFAOYSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 73168116
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
(3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 97427307
N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
CID 138992828
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
3-(4-chloro-3-fluorophenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]propan-1-one
CID 90589669
(3R)-N-(3,4-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26687837
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide (CID 90589813) is N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is VMLFKMJTCORNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O3S/c19-16-6-3-13(11-17(16)20)22-18(24)23-9-7-15(8-10-23)27(25,26)14-4-1-12(21)2-5-14/h1-6,11,15H,7-10H2,(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 90589813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).