N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide

C23H22N2O4S2 — CID 126690427

IUPACN-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1COCC(N2c3ccccc3Sc3ccccc32)C1O)c1ccccc1
InChIInChI=1S/C23H22N2O4S2/c26-23-17(24-31(27,28)16-8-2-1-3-9-16)14-29-15-20(23)25-18-10-4-6-12-21(18)30-22-13-7-5-11-19(22)25/h1-13,17,20,23-24,26H,14-15H2
InChIKeyRFUGVBYBUAOKPR-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.40
Rot. Bonds4

About N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide

N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide (PubChem CID 126690427) has the molecular formula C23H22N2O4S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide
PubChem CID126690427
Molecular FormulaC23H22N2O4S2
Molecular Weight454.57 g/mol
Exact Mass454.10
IUPAC NameN-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1COCC(N2c3ccccc3Sc3ccccc32)C1O)c1ccccc1
InChIInChI=1S/C23H22N2O4S2/c26-23-17(24-31(27,28)16-8-2-1-3-9-16)14-29-15-20(23)25-18-10-4-6-12-21(18)30-22-13-7-5-11-19(22)25/h1-13,17,20,23-24,26H,14-15H2
InChIKeyRFUGVBYBUAOKPR-UHFFFAOYSA-N
XLogP3.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4S,5R)-5-(3-fluorophenothiazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140905127
4-amino-N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]benzenesulfonamide
CID 126673697
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)-1-cyclopropyl-4-hydroxy-5-phenothiazin-10-ylpiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140905143
N-[(3R,4R,5S)-5-(3,7-dichlorophenoxazin-10-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126694185
N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 162800033
(3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol
CID 163491598
N-(2-hydroxyoxolan-3-yl)benzenesulfonamide
CID 141363362
(3S,4S,5R)-3-[[N-methyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-5-phenoxazin-10-yloxan-4-ol
CID 166592570
N-[(1R,2R)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-propanoylbenzenesulfonamide
CID 155077305
(2R)-2-amino-6-phenothiazin-10-ylcyclohexan-1-ol
CID 137467471

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide (CID 126690427) is N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide is O=S(=O)(NC1COCC(N2c3ccccc3Sc3ccccc32)C1O)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide?
The InChIKey is RFUGVBYBUAOKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S2/c26-23-17(24-31(27,28)16-8-2-1-3-9-16)14-29-15-20(23)25-18-10-4-6-12-21(18)30-22-13-7-5-11-19(22)25/h1-13,17,20,23-24,26H,14-15H2.
What are the key properties of N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide?
N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide has a molecular weight of 454.57 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 126690427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).