5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide

C31H33N3O5S — CID 18615207

IUPAC5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)ccc1OCc1ccccc1
InChIInChI=1S/C31H33N3O5S/c1-34(2)40(36,37)31-18-23(12-15-30(31)39-21-22-8-4-3-5-9-22)29(35)20-32-16-17-38-24-13-14-26-25-10-6-7-11-27(25)33-28(26)19-24/h3-15,18-19,29,32-33,35H,16-17,20-21H2,1-2H3
InChIKeyYTKRHRWXEIJNOF-UHFFFAOYSA-N
MW559.69 g/mol
LogP4.85
Rot. Bonds12

About 5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide

5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide (PubChem CID 18615207) has the molecular formula C31H33N3O5S and a molecular weight of 559.69 g/mol. Its IUPAC name is 5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide
PubChem CID18615207
Molecular FormulaC31H33N3O5S
Molecular Weight559.69 g/mol
Exact Mass559.21
IUPAC Name5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)ccc1OCc1ccccc1
InChIInChI=1S/C31H33N3O5S/c1-34(2)40(36,37)31-18-23(12-15-30(31)39-21-22-8-4-3-5-9-22)29(35)20-32-16-17-38-24-13-14-26-25-10-6-7-11-27(25)33-28(26)19-24/h3-15,18-19,29,32-33,35H,16-17,20-21H2,1-2H3
InChIKeyYTKRHRWXEIJNOF-UHFFFAOYSA-N
XLogP4.85
TPSA103.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.69
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole
CID 18615068
N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 11734879
3-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-hydroxyethyl]amino]ethoxy]dibenzothiophene
CID 18615081
2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol
CID 70187925
2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol
CID 18615237
5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide
CID 142649023
N-[3-[1-hydroxy-2-[2-[(7-phenyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 70034382
N-[3-[1-hydroxy-2-[2-[(6-hydroxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 18380520
N-[3-[(1R)-2-[2-[[7-(dimethylamino)-9H-carbazol-2-yl]oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide;hydrochloride
CID 70035004
N-[2-chloro-5-[(1S)-1-hydroxy-2-[2-[(7-hydroxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10206627
N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 70036087
N-[5-[2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]-1-hydroxyethyl]-2-chlorophenyl]methanesulfonamide;ethane
CID 142048383

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide?
The IUPAC name of 5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide (CID 18615207) is 5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide is CN(C)S(=O)(=O)c1cc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)ccc1OCc1ccccc1.
What is the InChIKey of 5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide?
The InChIKey is YTKRHRWXEIJNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O5S/c1-34(2)40(36,37)31-18-23(12-15-30(31)39-21-22-8-4-3-5-9-22)29(35)20-32-16-17-38-24-13-14-26-25-10-6-7-11-27(25)33-28(26)19-24/h3-15,18-19,29,32-33,35H,16-17,20-21H2,1-2H3.
What are the key properties of 5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide?
5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide has a molecular weight of 559.69 g/mol, XLogP of 4.85, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 18615207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).