N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

C24H20F4N2O5S2 — CID 140905127

IUPACN-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1COC[C@@H](N2c3ccccc3Sc3cc(F)ccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H20F4N2O5S2/c25-14-5-10-19-22(11-14)36-21-4-2-1-3-18(21)30(19)20-13-34-12-17(23(20)31)29-37(32,33)16-8-6-15(7-9-16)35-24(26,27)28/h1-11,17,20,23,29,31H,12-13H2/t17-,20+,23+/m0/s1
InChIKeyBRYQBXJVWRNPHC-XTQVGHSUSA-N
MW556.56 g/mol
LogP4.43
Rot. Bonds5

About N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 140905127) has the molecular formula C24H20F4N2O5S2 and a molecular weight of 556.56 g/mol. Its IUPAC name is N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID140905127
Molecular FormulaC24H20F4N2O5S2
Molecular Weight556.56 g/mol
Exact Mass556.07
IUPAC NameN-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1COC[C@@H](N2c3ccccc3Sc3cc(F)ccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H20F4N2O5S2/c25-14-5-10-19-22(11-14)36-21-4-2-1-3-18(21)30(19)20-13-34-12-17(23(20)31)29-37(32,33)16-8-6-15(7-9-16)35-24(26,27)28/h1-11,17,20,23,29,31H,12-13H2/t17-,20+,23+/m0/s1
InChIKeyBRYQBXJVWRNPHC-XTQVGHSUSA-N
XLogP4.43
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.56
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide 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-[(4R,5S)-5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140905110
N-[(3S,4S,5R)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126673571
N-[(3R,4R,5S)-5-(3,7-dichlorophenoxazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126694185
N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide
CID 126690427
N-[(3R,4R,5S)-1-cyclopropyl-4-hydroxy-5-phenothiazin-10-ylpiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140905143
N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126694177
N-[3-(3,7-difluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 123596834
(3S,4S,5R)-3-[[N-methyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-5-phenoxazin-10-yloxan-4-ol
CID 166592570
N-[(1R,2R,3S)-3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 118374266
N-[(2R)-3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 146830114
(3R,4S,5R)-3-[[N-(cyclopropylmethyl)-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-5-phenoxazin-10-yloxan-4-ol
CID 166592590
N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-phenylpiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140905174

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 140905127) is N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(N[C@H]1COC[C@@H](N2c3ccccc3Sc3cc(F)ccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is BRYQBXJVWRNPHC-XTQVGHSUSA-N. The full InChI is InChI=1S/C24H20F4N2O5S2/c25-14-5-10-19-22(11-14)36-21-4-2-1-3-18(21)30(19)20-13-34-12-17(23(20)31)29-37(32,33)16-8-6-15(7-9-16)35-24(26,27)28/h1-11,17,20,23,29,31H,12-13H2/t17-,20+,23+/m0/s1.
What are the key properties of N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 556.56 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 140905127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).