5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide

C24H24N4O6S — CID 142649023

IUPAC5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide
SMILESCNS(=O)(=O)n1c(=O)oc2ccc([C@@H](O)CNCCOc3ccc4c(c3)[nH]c3ccccc34)cc21
InChIInChI=1S/C24H24N4O6S/c1-25-35(31,32)28-21-12-15(6-9-23(21)34-24(28)30)22(29)14-26-10-11-33-16-7-8-18-17-4-2-3-5-19(17)27-20(18)13-16/h2-9,12-13,22,25-27,29H,10-11,14H2,1H3/t22-/m0/s1
InChIKeyGYOCLYNZCXJNJP-QFIPXVFZSA-N
MW496.55 g/mol
LogP2.24
Rot. Bonds9

About 5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide

5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide (PubChem CID 142649023) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is 5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide.

Molecular Properties

Compound Name5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide
PubChem CID142649023
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC Name5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide
SMILESCNS(=O)(=O)n1c(=O)oc2ccc([C@@H](O)CNCCOc3ccc4c(c3)[nH]c3ccccc34)cc21
InChIInChI=1S/C24H24N4O6S/c1-25-35(31,32)28-21-12-15(6-9-23(21)34-24(28)30)22(29)14-26-10-11-33-16-7-8-18-17-4-2-3-5-19(17)27-20(18)13-16/h2-9,12-13,22,25-27,29H,10-11,14H2,1H3/t22-/m0/s1
InChIKeyGYOCLYNZCXJNJP-QFIPXVFZSA-N
XLogP2.24
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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
2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol
CID 18615237
5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide
CID 18615207
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-[5-[(1R)-2-(2-dibenzofuran-3-yloxyethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
CID 54267330
N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 70036087
N-[3-[2-(2-dibenzofuran-3-yloxyethylamino)-1-hydroxyethyl]phenyl]methanesulfonamide
CID 15887685
N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
CID 70037263
N-[2-chloro-5-[(1S)-1-hydroxy-2-[2-[(7-hydroxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10206627
N-[2-bromo-5-[(1R)-2-[2-[(7-chloro-9H-carbazol-2-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 70034972
N-[2-bromo-5-[(1S)-2-[2-[(7-cyano-9H-carbazol-2-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 70034319

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide?
The IUPAC name of 5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide (CID 142649023) is 5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide.
What is the SMILES notation for 5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide?
The canonical SMILES for 5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide is CNS(=O)(=O)n1c(=O)oc2ccc([C@@H](O)CNCCOc3ccc4c(c3)[nH]c3ccccc34)cc21.
What is the InChIKey of 5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide?
The InChIKey is GYOCLYNZCXJNJP-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-25-35(31,32)28-21-12-15(6-9-23(21)34-24(28)30)22(29)14-26-10-11-33-16-7-8-18-17-4-2-3-5-19(17)27-20(18)13-16/h2-9,12-13,22,25-27,29H,10-11,14H2,1H3/t22-/m0/s1.
What are the key properties of 5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide?
5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide has a molecular weight of 496.55 g/mol, XLogP of 2.24, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide is sourced from PubChem (CID 142649023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).