N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide

C24H27FN2O3S — CID 24539662

IUPACN-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)ccc1F
InChIInChI=1S/C24H27FN2O3S/c1-15-8-21(6-7-22(15)25)31(29,30)27-20-4-2-19(3-5-20)23(28)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h2-8,16-18,27H,9-14H2,1H3,(H,26,28)
InChIKeyUTSQNNCOQYMRSW-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.63
Rot. Bonds5

About N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide

N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide (PubChem CID 24539662) has the molecular formula C24H27FN2O3S and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
PubChem CID24539662
Molecular FormulaC24H27FN2O3S
Molecular Weight442.56 g/mol
Exact Mass442.17
IUPAC NameN-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)ccc1F
InChIInChI=1S/C24H27FN2O3S/c1-15-8-21(6-7-22(15)25)31(29,30)27-20-4-2-19(3-5-20)23(28)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h2-8,16-18,27H,9-14H2,1H3,(H,26,28)
InChIKeyUTSQNNCOQYMRSW-UHFFFAOYSA-N
XLogP4.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450676
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511031
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
CID 120833202
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55370304
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 24979496
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide (CID 24539662) is N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide is Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)ccc1F.
What is the InChIKey of N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UTSQNNCOQYMRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3S/c1-15-8-21(6-7-22(15)25)31(29,30)27-20-4-2-19(3-5-20)23(28)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h2-8,16-18,27H,9-14H2,1H3,(H,26,28).
What are the key properties of N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide has a molecular weight of 442.56 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24539662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).