N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide

C19H22N2O4S — CID 161459830

IUPACN-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCC(N2c3ccccc3Oc3ccccc32)[C@@H]1O
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)20-13-7-6-10-16(19(13)22)21-14-8-2-4-11-17(14)25-18-12-5-3-9-15(18)21/h2-5,8-9,11-13,16,19-20,22H,6-7,10H2,1H3/t13-,16?,19+/m0/s1
InChIKeyDXCCFEMLXVGUCI-SDFDQKQISA-N
MW374.46 g/mol
LogP2.76
Rot. Bonds3

About N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide

N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide (PubChem CID 161459830) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide
PubChem CID161459830
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCC(N2c3ccccc3Oc3ccccc32)[C@@H]1O
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)20-13-7-6-10-16(19(13)22)21-14-8-2-4-11-17(14)25-18-12-5-3-9-15(18)21/h2-5,8-9,11-13,16,19-20,22H,6-7,10H2,1H3/t13-,16?,19+/m0/s1
InChIKeyDXCCFEMLXVGUCI-SDFDQKQISA-N
XLogP2.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-propanoylbenzenesulfonamide
CID 155077305
2-phenoxazin-10-yl-6-[[N-propyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]cyclohexan-1-ol
CID 166592772
2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol
CID 166592350
3-(1,1-difluoro-3-methyl-2-methylidenebutoxy)-N-[(1R,2R,3S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]benzenesulfonamide
CID 159657626
N-[(1R,2R,3S)-3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclohexyl]benzenesulfonamide;N-[(1S,2S,3R)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;tetrakis(N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide);N-[(1R,2R)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-methylbenzenesulfonamide;N-[(1S,2S,3S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-methylbenzenesulfonamide;N-[(1S,2S,3R)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-methylbenzenesulfonamide
CID 161192214
N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 123229562
4-amino-N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]benzenesulfonamide
CID 126673697
(3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol
CID 163491598
2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride
CID 157421463
2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol
CID 156714501
N-[3-(3,7-difluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 123596834
N-[(3S,4S,5R)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126673571

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide?
The IUPAC name of N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide (CID 161459830) is N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCC(N2c3ccccc3Oc3ccccc32)[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide?
The InChIKey is DXCCFEMLXVGUCI-SDFDQKQISA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-26(23,24)20-13-7-6-10-16(19(13)22)21-14-8-2-4-11-17(14)25-18-12-5-3-9-15(18)21/h2-5,8-9,11-13,16,19-20,22H,6-7,10H2,1H3/t13-,16?,19+/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide?
N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 161459830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).