N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride

C24H28ClN3O6S2 — CID 70037263

IUPACN-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(c2)[nH]c2cc(S(C)(=O)=O)ccc23)c1.Cl
InChIInChI=1S/C24H27N3O6S2.ClH/c1-34(29,30)19-7-9-21-20-8-6-18(13-22(20)26-23(21)14-19)33-11-10-25-15-24(28)16-4-3-5-17(12-16)27-35(2,31)32;/h3-9,12-14,24-28H,10-11,15H2,1-2H3;1H/t24-;/m0./s1
InChIKeyWIABBQQYBSUHLW-JIDHJSLPSA-N
MW554.09 g/mol
LogP3.22
Rot. Bonds10

About N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride

N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride (PubChem CID 70037263) has the molecular formula C24H28ClN3O6S2 and a molecular weight of 554.09 g/mol. Its IUPAC name is N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
PubChem CID70037263
Molecular FormulaC24H28ClN3O6S2
Molecular Weight554.09 g/mol
Exact Mass553.11
IUPAC NameN-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(c2)[nH]c2cc(S(C)(=O)=O)ccc23)c1.Cl
InChIInChI=1S/C24H27N3O6S2.ClH/c1-34(29,30)19-7-9-21-20-8-6-18(13-22(20)26-23(21)14-19)33-11-10-25-15-24(28)16-4-3-5-17(12-16)27-35(2,31)32;/h3-9,12-14,24-28H,10-11,15H2,1-2H3;1H/t24-;/m0./s1
InChIKeyWIABBQQYBSUHLW-JIDHJSLPSA-N
XLogP3.22
TPSA137.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.09
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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
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N-[3-[(1R)-1-hydroxy-2-[2-[[2-(2-methoxyethyl)-3-methyl-1H-indol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
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2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole
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CID 85337324
N-[3-[(1R)-2-[2-[(2,3-dimethyl-1-benzothiophen-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 12044239
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N-[3-[2-(2-dibenzofuran-3-yloxyethylamino)-1-hydroxyethyl]phenyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride (CID 70037263) is N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(c2)[nH]c2cc(S(C)(=O)=O)ccc23)c1.Cl.
What is the InChIKey of N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is WIABBQQYBSUHLW-JIDHJSLPSA-N. The full InChI is InChI=1S/C24H27N3O6S2.ClH/c1-34(29,30)19-7-9-21-20-8-6-18(13-22(20)26-23(21)14-19)33-11-10-25-15-24(28)16-4-3-5-17(12-16)27-35(2,31)32;/h3-9,12-14,24-28H,10-11,15H2,1-2H3;1H/t24-;/m0./s1.
What are the key properties of N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride?
N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 554.09 g/mol, XLogP of 3.22, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 70037263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).