N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

C24H29FN2O4S — CID 55690040

IUPACN-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC(c1ccccc1)C1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H29FN2O4S/c25-21-12-11-20(17-22(21)32(29,30)27-13-15-31-16-14-27)24(28)26-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,17,19,23H,2,5-6,9-10,13-16H2,(H,26,28)
InChIKeyPOGFDBHGBWQRKO-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.90
Rot. Bonds6

About N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55690040) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55690040
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC(c1ccccc1)C1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H29FN2O4S/c25-21-12-11-20(17-22(21)32(29,30)27-13-15-31-16-14-27)24(28)26-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,17,19,23H,2,5-6,9-10,13-16H2,(H,26,28)
InChIKeyPOGFDBHGBWQRKO-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55690179
4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794746
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
[2-(cyclooctylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4009487
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 27262140
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 43031541
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
N-(1-adamantyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 7732505

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (CID 55690040) is N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is O=C(NC(c1ccccc1)C1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is POGFDBHGBWQRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c25-21-12-11-20(17-22(21)32(29,30)27-13-15-31-16-14-27)24(28)26-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,17,19,23H,2,5-6,9-10,13-16H2,(H,26,28).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 460.57 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55690040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).