2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide

C26H28FN3O4S — CID 98529963

IUPAC2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)ccc1F
InChIInChI=1S/C26H28FN3O4S/c1-18-7-6-8-20(15-18)30-14-13-29(17-19(30)2)35(32,33)21-11-12-23(27)22(16-21)26(31)28-24-9-4-5-10-25(24)34-3/h4-12,15-16,19H,13-14,17H2,1-3H3,(H,28,31)/t19-/m1/s1
InChIKeyOGBJEUTYEYTPQA-LJQANCHMSA-N
MW497.59 g/mol
LogP4.29
Rot. Bonds6

About 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide

2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide (PubChem CID 98529963) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
PubChem CID98529963
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC Name2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)ccc1F
InChIInChI=1S/C26H28FN3O4S/c1-18-7-6-8-20(15-18)30-14-13-29(17-19(30)2)35(32,33)21-11-12-23(27)22(16-21)26(31)28-24-9-4-5-10-25(24)34-3/h4-12,15-16,19H,13-14,17H2,1-3H3,(H,28,31)/t19-/m1/s1
InChIKeyOGBJEUTYEYTPQA-LJQANCHMSA-N
XLogP4.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide 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

N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
CID 98374220
N-(2-ethoxyphenyl)-4-fluoro-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
CID 5082465
4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3315256
N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 4068447
4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 23741901
N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3585656
4-(3-bromophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3393919
(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 7042227
5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 3585921
N-(2,5-dimethoxyphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 6616855
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide
CID 4279790
2-fluoro-N-(2-methoxyphenyl)-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 15995932

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide (CID 98529963) is 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide is COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide?
The InChIKey is OGBJEUTYEYTPQA-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-18-7-6-8-20(15-18)30-14-13-29(17-19(30)2)35(32,33)21-11-12-23(27)22(16-21)26(31)28-24-9-4-5-10-25(24)34-3/h4-12,15-16,19H,13-14,17H2,1-3H3,(H,28,31)/t19-/m1/s1.
What are the key properties of 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide?
2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide has a molecular weight of 497.59 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 98529963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).