2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol

C25H27N3O2S — CID 166592581

IUPAC2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol
SMILESCN=S(=O)(NC1CCCC(n2c3ccccc3c3ccccc32)C1O)c1ccccc1
InChIInChI=1S/C25H27N3O2S/c1-26-31(30,18-10-3-2-4-11-18)27-21-14-9-17-24(25(21)29)28-22-15-7-5-12-19(22)20-13-6-8-16-23(20)28/h2-8,10-13,15-16,21,24-25,29H,9,14,17H2,1H3,(H,26,27,30)
InChIKeyCUIADGZSQRYIJF-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.91
Rot. Bonds4

About 2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol

2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol (PubChem CID 166592581) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol
PubChem CID166592581
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol
SMILESCN=S(=O)(NC1CCCC(n2c3ccccc3c3ccccc32)C1O)c1ccccc1
InChIInChI=1S/C25H27N3O2S/c1-26-31(30,18-10-3-2-4-11-18)27-21-14-9-17-24(25(21)29)28-22-15-7-5-12-19(22)20-13-6-8-16-23(20)28/h2-8,10-13,15-16,21,24-25,29H,9,14,17H2,1H3,(H,26,27,30)
InChIKeyCUIADGZSQRYIJF-UHFFFAOYSA-N
XLogP4.91
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[S-[(3-carbazol-9-yl-2-hydroxycyclohexyl)amino]-N-methylsulfonimidoyl]benzonitrile
CID 166592631
2-[[S-(4-chlorophenyl)-N-methylsulfonimidoyl]amino]-6-(3,6-dibromocarbazol-9-yl)cyclohexan-1-ol
CID 166592675
N-[(1R,2R)-3-(3-fluorocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 134402065
3-carbazol-9-ylcyclohexane-1,2-diol
CID 123529337
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
4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide
CID 155061442
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-6-[[N-methyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]cyclohexan-1-ol
CID 166592384
(1R,2S,6R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-6-[[N-methyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]cyclohexan-1-ol
CID 166592655
2-[[S-(4-chlorophenyl)-N-methylsulfonimidoyl]amino]-5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-ol
CID 166592695
cis-(1R,2S)-3-carbazol-9-ylcycloheptane-1,2-diol
CID 140895217
3-carbazol-9-ylcycloheptane-1,2-diol
CID 126531025
2-amino-6-carbazol-9-ylcyclohexan-1-ol
CID 123469033

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol (CID 166592581) is 2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol is CN=S(=O)(NC1CCCC(n2c3ccccc3c3ccccc32)C1O)c1ccccc1.
What is the InChIKey of 2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol?
The InChIKey is CUIADGZSQRYIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-26-31(30,18-10-3-2-4-11-18)27-21-14-9-17-24(25(21)29)28-22-15-7-5-12-19(22)20-13-6-8-16-23(20)28/h2-8,10-13,15-16,21,24-25,29H,9,14,17H2,1H3,(H,26,27,30).
What are the key properties of 2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol?
2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol has a molecular weight of 433.58 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 166592581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).