4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide

C25H23FN2O4S — CID 112812912

IUPAC4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CC=C(c3ccc(O)cc3)CC2)ccc1F
InChIInChI=1S/C25H23FN2O4S/c1-17-16-21(10-11-23(17)26)33(31,32)27-24-5-3-2-4-22(24)25(30)28-14-12-19(13-15-28)18-6-8-20(29)9-7-18/h2-12,16,27,29H,13-15H2,1H3
InChIKeyIOSBQLCCBMGUCE-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.57
Rot. Bonds5

About 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide

4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide (PubChem CID 112812912) has the molecular formula C25H23FN2O4S and a molecular weight of 466.53 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
PubChem CID112812912
Molecular FormulaC25H23FN2O4S
Molecular Weight466.53 g/mol
Exact Mass466.14
IUPAC Name4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CC=C(c3ccc(O)cc3)CC2)ccc1F
InChIInChI=1S/C25H23FN2O4S/c1-17-16-21(10-11-23(17)26)33(31,32)27-24-5-3-2-4-22(24)25(30)28-14-12-19(13-15-28)18-6-8-20(29)9-7-18/h2-12,16,27,29H,13-15H2,1H3
InChIKeyIOSBQLCCBMGUCE-UHFFFAOYSA-N
XLogP4.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide with MolForge

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Related Compounds

(3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone
CID 112811513
4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 55646338
N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 8707607
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 24663333
N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 17479375
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432581
4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 38009918
5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 112803139
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 119375343

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide (CID 112812912) is 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CC=C(c3ccc(O)cc3)CC2)ccc1F.
What is the InChIKey of 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
The InChIKey is IOSBQLCCBMGUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4S/c1-17-16-21(10-11-23(17)26)33(31,32)27-24-5-3-2-4-22(24)25(30)28-14-12-19(13-15-28)18-6-8-20(29)9-7-18/h2-12,16,27,29H,13-15H2,1H3.
What are the key properties of 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 466.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 112812912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).