N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

C24H28F3NO4S — CID 123192782

IUPACN-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC(C2CCCCc3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H28F3NO4S/c25-24(26,27)32-17-12-14-18(15-13-17)33(30,31)28-22-11-5-10-21(23(22)29)20-9-4-2-7-16-6-1-3-8-19(16)20/h1,3,6,8,12-15,20-23,28-29H,2,4-5,7,9-11H2
InChIKeyIDSBAOIDLORNHF-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.90
Rot. Bonds5

About N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 123192782) has the molecular formula C24H28F3NO4S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID123192782
Molecular FormulaC24H28F3NO4S
Molecular Weight483.55 g/mol
Exact Mass483.17
IUPAC NameN-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC(C2CCCCc3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H28F3NO4S/c25-24(26,27)32-17-12-14-18(15-13-17)33(30,31)28-22-11-5-10-21(23(22)29)20-9-4-2-7-16-6-1-3-8-19(16)20/h1,3,6,8,12-15,20-23,28-29H,2,4-5,7,9-11H2
InChIKeyIDSBAOIDLORNHF-UHFFFAOYSA-N
XLogP4.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 167480865
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
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
N-[(1R,2R,3S)-3-amino-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126691146
N-[[(1R,2R)-2-hydroxy-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclohexyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 156809540
N-[(1R,2R)-3-(3-fluorocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 134402065
N-[(4R,5S)-5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140905110
N-[(4S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 167480932
(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-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-6-[[N-methyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]cyclohexan-1-ol
CID 166592384
N-[3-(3,7-difluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 123596834

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 123192782) is N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC1CCCC(C2CCCCc3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is IDSBAOIDLORNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3NO4S/c25-24(26,27)32-17-12-14-18(15-13-17)33(30,31)28-22-11-5-10-21(23(22)29)20-9-4-2-7-16-6-1-3-8-19(16)20/h1,3,6,8,12-15,20-23,28-29H,2,4-5,7,9-11H2.
What are the key properties of N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 483.55 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 123192782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).