2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide

C23H27FN2O4S — CID 86948596

IUPAC2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
SMILESO=C(NC1(c2ccccc2)CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C23H27FN2O4S/c24-21-10-9-19(31(28,29)26-13-15-30-16-14-26)17-20(21)22(27)25-23(11-5-2-6-12-23)18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,25,27)
InChIKeyZCEGDKXBFZWWQG-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.44
Rot. Bonds5

About 2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide

2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide (PubChem CID 86948596) has the molecular formula C23H27FN2O4S and a molecular weight of 446.54 g/mol. Its IUPAC name is 2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
PubChem CID86948596
Molecular FormulaC23H27FN2O4S
Molecular Weight446.54 g/mol
Exact Mass446.17
IUPAC Name2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
SMILESO=C(NC1(c2ccccc2)CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C23H27FN2O4S/c24-21-10-9-19(31(28,29)26-13-15-30-16-14-26)17-20(21)22(27)25-23(11-5-2-6-12-23)18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,25,27)
InChIKeyZCEGDKXBFZWWQG-UHFFFAOYSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
CID 86948603
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990
N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24645604
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55622510
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55672473
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2458310
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide?
The IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide (CID 86948596) is 2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide.
What is the SMILES notation for 2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide?
The canonical SMILES for 2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide is O=C(NC1(c2ccccc2)CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide?
The InChIKey is ZCEGDKXBFZWWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4S/c24-21-10-9-19(31(28,29)26-13-15-30-16-14-26)17-20(21)22(27)25-23(11-5-2-6-12-23)18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,25,27).
What are the key properties of 2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide?
2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide has a molecular weight of 446.54 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide is sourced from PubChem (CID 86948596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).