2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol

C20H24BrN3O4S — CID 4537341

IUPAC2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol
SMILESCC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H24BrN3O4S/c1-20(2,3)14-12-17(21)19(25)18(13-14)23-22-15-4-6-16(7-5-15)29(26,27)24-8-10-28-11-9-24/h4-7,12-13,25H,8-11H2,1-3H3/b23-22+
InChIKeyLVEYPWQNSYTBLO-GHVJWSGMSA-N
MW482.40 g/mol
LogP4.89
Rot. Bonds4

About 2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol

2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol (PubChem CID 4537341) has the molecular formula C20H24BrN3O4S and a molecular weight of 482.40 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol
PubChem CID4537341
Molecular FormulaC20H24BrN3O4S
Molecular Weight482.40 g/mol
Exact Mass481.07
IUPAC Name2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol
SMILESCC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H24BrN3O4S/c1-20(2,3)14-12-17(21)19(25)18(13-14)23-22-15-4-6-16(7-5-15)29(26,27)24-8-10-28-11-9-24/h4-7,12-13,25H,8-11H2,1-3H3/b23-22+
InChIKeyLVEYPWQNSYTBLO-GHVJWSGMSA-N
XLogP4.89
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-tert-butyl-6-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]phenol
CID 3360949
2,4-ditert-butyl-6-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]phenol
CID 4981250
(4-tert-butylphenyl) 4-morpholin-4-ylsulfonylbenzenesulfonate
CID 32737743
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
2-bromo-5-morpholin-4-ylsulfonylaniline
CID 115328547
2-bromo-4-morpholin-4-ylsulfonylaniline
CID 54850283
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
2-(methylamino)-5-morpholin-4-ylsulfonylphenol
CID 42647844
4-bromo-3-morpholin-4-ylsulfonylbenzoate
CID 3668553
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 136740263

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol?
The IUPAC name of 2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol (CID 4537341) is 2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol.
What is the SMILES notation for 2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol?
The canonical SMILES for 2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol is CC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol?
The InChIKey is LVEYPWQNSYTBLO-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H24BrN3O4S/c1-20(2,3)14-12-17(21)19(25)18(13-14)23-22-15-4-6-16(7-5-15)29(26,27)24-8-10-28-11-9-24/h4-7,12-13,25H,8-11H2,1-3H3/b23-22+.
What are the key properties of 2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol?
2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol has a molecular weight of 482.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol is sourced from PubChem (CID 4537341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).