[3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone

C28H22FN3O4S — CID 164941900

IUPAC[3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nc(-c3cccc4ccccc34)n(S(=O)(=O)c3cccc(F)c3)c2c1)N1CCOCC1
InChIInChI=1S/C28H22FN3O4S/c29-21-7-4-8-22(18-21)37(34,35)32-26-17-20(28(33)31-13-15-36-16-14-31)11-12-25(26)30-27(32)24-10-3-6-19-5-1-2-9-23(19)24/h1-12,17-18H,13-16H2
InChIKeyNBYUKODNAQOPIL-UHFFFAOYSA-N
MW515.57 g/mol
LogP4.70
Rot. Bonds4

About [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone

[3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 164941900) has the molecular formula C28H22FN3O4S and a molecular weight of 515.57 g/mol. Its IUPAC name is [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone
PubChem CID164941900
Molecular FormulaC28H22FN3O4S
Molecular Weight515.57 g/mol
Exact Mass515.13
IUPAC Name[3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nc(-c3cccc4ccccc34)n(S(=O)(=O)c3cccc(F)c3)c2c1)N1CCOCC1
InChIInChI=1S/C28H22FN3O4S/c29-21-7-4-8-22(18-21)37(34,35)32-26-17-20(28(33)31-13-15-36-16-14-31)11-12-25(26)30-27(32)24-10-3-6-19-5-1-2-9-23(19)24/h1-12,17-18H,13-16H2
InChIKeyNBYUKODNAQOPIL-UHFFFAOYSA-N
XLogP4.70
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
[3-[(4-fluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598874
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
methyl 3-(4-isocyanophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate
CID 164941932
(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24983009
[3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 164941908
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
[3-[[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]sulfonyl]phenyl]-morpholin-4-ylmethanone
CID 72879903
[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367070
(3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone
CID 167572036

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone (CID 164941900) is [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone is O=C(c1ccc2nc(-c3cccc4ccccc34)n(S(=O)(=O)c3cccc(F)c3)c2c1)N1CCOCC1.
What is the InChIKey of [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is NBYUKODNAQOPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN3O4S/c29-21-7-4-8-22(18-21)37(34,35)32-26-17-20(28(33)31-13-15-36-16-14-31)11-12-25(26)30-27(32)24-10-3-6-19-5-1-2-9-23(19)24/h1-12,17-18H,13-16H2.
What are the key properties of [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
[3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 515.57 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 164941900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).