N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C21H27FN2O3S — CID 47088928

IUPACN-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)c(C)c1C
InChIInChI=1S/C21H27FN2O3S/c1-13-14(2)16(4)21(17(5)15(13)3)28(25,26)23-19-10-18(22)11-20(12-19)24-6-8-27-9-7-24/h10-12,23H,6-9H2,1-5H3
InChIKeyAKJBMXWPKGHAHY-UHFFFAOYSA-N
MW406.52 g/mol
LogP4.01
Rot. Bonds4

About N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 47088928) has the molecular formula C21H27FN2O3S and a molecular weight of 406.52 g/mol. Its IUPAC name is N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID47088928
Molecular FormulaC21H27FN2O3S
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC NameN-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)c(C)c1C
InChIInChI=1S/C21H27FN2O3S/c1-13-14(2)16(4)21(17(5)15(13)3)28(25,26)23-19-10-18(22)11-20(12-19)24-6-8-27-9-7-24/h10-12,23H,6-9H2,1-5H3
InChIKeyAKJBMXWPKGHAHY-UHFFFAOYSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide 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

2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3703667
4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370241
2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
CID 120799542
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide
CID 136553437
1-(3-fluoro-5-morpholin-4-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 91649292
(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 122081452
1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid
CID 69187079
4-(3-fluoro-5-propan-2-ylphenyl)morpholine
CID 58780458
1-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 119871802
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 42267676
2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938967
N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 78833549

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 47088928) is N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)c(C)c1C.
What is the InChIKey of N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is AKJBMXWPKGHAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3S/c1-13-14(2)16(4)21(17(5)15(13)3)28(25,26)23-19-10-18(22)11-20(12-19)24-6-8-27-9-7-24/h10-12,23H,6-9H2,1-5H3.
What are the key properties of N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 406.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 47088928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).