N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide

C26H25FN2O4S — CID 55955437

IUPACN-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)CC2)cc1
InChIInChI=1S/C26H25FN2O4S/c1-18-5-7-19(8-6-18)25(30)20-13-15-29(16-14-20)26(31)21-3-2-4-24(17-21)34(32,33)28-23-11-9-22(27)10-12-23/h2-12,17,20,28H,13-16H2,1H3
InChIKeyJCNMHSKDFSNMIR-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.67
Rot. Bonds6

About N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide

N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 55955437) has the molecular formula C26H25FN2O4S and a molecular weight of 480.56 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID55955437
Molecular FormulaC26H25FN2O4S
Molecular Weight480.56 g/mol
Exact Mass480.15
IUPAC NameN-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)CC2)cc1
InChIInChI=1S/C26H25FN2O4S/c1-18-5-7-19(8-6-18)25(30)20-13-15-29(16-14-20)26(31)21-3-2-4-24(17-21)34(32,33)28-23-11-9-22(27)10-12-23/h2-12,17,20,28H,13-16H2,1H3
InChIKeyJCNMHSKDFSNMIR-UHFFFAOYSA-N
XLogP4.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 55954327
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380154
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 119485855
methyl 4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946370
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 55348385

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide (CID 55955437) is N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide is Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is JCNMHSKDFSNMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4S/c1-18-5-7-19(8-6-18)25(30)20-13-15-29(16-14-20)26(31)21-3-2-4-24(17-21)34(32,33)28-23-11-9-22(27)10-12-23/h2-12,17,20,28H,13-16H2,1H3.
What are the key properties of N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide?
N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 480.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55955437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).