2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole

C24H28N4O4S — CID 18615068

IUPAC2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole
SMILESCN(C)S(=O)(=O)Nc1cccc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)c1
InChIInChI=1S/C24H28N4O4S/c1-28(2)33(30,31)27-18-7-5-6-17(14-18)24(29)16-25-12-13-32-19-10-11-21-20-8-3-4-9-22(20)26-23(21)15-19/h3-11,14-15,24-27,29H,12-13,16H2,1-2H3
InChIKeyPSKSSEIOSGHLJJ-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.24
Rot. Bonds10

About 2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole

2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole (PubChem CID 18615068) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole.

Molecular Properties

Compound Name2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole
PubChem CID18615068
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole
SMILESCN(C)S(=O)(=O)Nc1cccc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)c1
InChIInChI=1S/C24H28N4O4S/c1-28(2)33(30,31)27-18-7-5-6-17(14-18)24(29)16-25-12-13-32-19-10-11-21-20-8-3-4-9-22(20)26-23(21)15-19/h3-11,14-15,24-27,29H,12-13,16H2,1-2H3
InChIKeyPSKSSEIOSGHLJJ-UHFFFAOYSA-N
XLogP3.24
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(1R)-2-[2-[[7-(dimethylamino)-9H-carbazol-2-yl]oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide;hydrochloride
CID 70035004
N-[3-[1-hydroxy-2-[2-[(6-hydroxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 18380520
N-[3-[1-hydroxy-2-[2-[(7-phenyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 70034382
N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
CID 70037263
5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide
CID 18615207
2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol
CID 18615237
N-[3-[(1R)-2-[2-[[3-(2-aminoethyl)-2-methyl-1H-indol-6-yl]oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 10204024
N-[3-[2-[2-[(2-tert-butyl-3-methyl-1H-indol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide;hydrochloride
CID 22141413
N-[3-[(1R)-1-hydroxy-2-[2-[[2-(2-methoxyethyl)-3-methyl-1H-indol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10115583
N-[3-[2-(2-dibenzofuran-3-yloxyethylamino)-1-hydroxyethyl]phenyl]methanesulfonamide
CID 15887685
ethyl 2-[6-[2-[[2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethyl]amino]ethoxy]-3-methyl-1H-indol-2-yl]acetate
CID 85337324
ethyl [5-[2-[[(2R)-2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethyl]amino]ethoxy]-3-methyl-1H-indol-2-yl] carbonate
CID 66911906

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole?
The IUPAC name of 2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole (CID 18615068) is 2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole.
What is the SMILES notation for 2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole?
The canonical SMILES for 2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole is CN(C)S(=O)(=O)Nc1cccc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)c1.
What is the InChIKey of 2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole?
The InChIKey is PSKSSEIOSGHLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-28(2)33(30,31)27-18-7-5-6-17(14-18)24(29)16-25-12-13-32-19-10-11-21-20-8-3-4-9-22(20)26-23(21)15-19/h3-11,14-15,24-27,29H,12-13,16H2,1-2H3.
What are the key properties of 2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole?
2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole has a molecular weight of 468.58 g/mol, XLogP of 3.24, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole is sourced from PubChem (CID 18615068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).