4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide

C24H36N4O4S — CID 143678928

IUPAC4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCCC(C)(C)OCCC(C)(C)O)cc2)cc1
InChIInChI=1S/C24H36N4O4S/c1-23(2,29)16-18-32-24(3,4)15-17-25-33(30,31)22-13-9-20(10-14-22)27-26-19-7-11-21(12-8-19)28(5)6/h7-14,25,29H,15-18H2,1-6H3/b27-26+
InChIKeyYZJNTSOZKOITIA-CYYJNZCTSA-N
MW476.64 g/mol
LogP4.79
Rot. Bonds12

About 4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide

4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide (PubChem CID 143678928) has the molecular formula C24H36N4O4S and a molecular weight of 476.64 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide
PubChem CID143678928
Molecular FormulaC24H36N4O4S
Molecular Weight476.64 g/mol
Exact Mass476.25
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCCC(C)(C)OCCC(C)(C)O)cc2)cc1
InChIInChI=1S/C24H36N4O4S/c1-23(2,29)16-18-32-24(3,4)15-17-25-33(30,31)22-13-9-20(10-14-22)27-26-19-7-11-21(12-8-19)28(5)6/h7-14,25,29H,15-18H2,1-6H3/b27-26+
InChIKeyYZJNTSOZKOITIA-CYYJNZCTSA-N
XLogP4.79
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-methylsulfonylsulfanylethyl)benzenesulfonamide
CID 3266790
(2S)-2-amino-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]hexanoic acid
CID 101250685
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide
CID 138743755
(2,5-dihydroxypyrrol-1-yl) 3-[2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]ethoxy]propanoate
CID 90736519
[4-[2-[6-[[3-[3-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-methylbutoxy]-3-methylbutanoyl]amino]hexylamino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
CID 123889883
N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide
CID 100975635
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880
ethyl 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
CID 14123301
N-[(2R,3R,4R,5R,6R)-2-[(E)-4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]butylideneamino]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 25172541
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide
CID 90444287
4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122068851
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide (CID 143678928) is 4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide is CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCCC(C)(C)OCCC(C)(C)O)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide?
The InChIKey is YZJNTSOZKOITIA-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H36N4O4S/c1-23(2,29)16-18-32-24(3,4)15-17-25-33(30,31)22-13-9-20(10-14-22)27-26-19-7-11-21(12-8-19)28(5)6/h7-14,25,29H,15-18H2,1-6H3/b27-26+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide?
4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide has a molecular weight of 476.64 g/mol, XLogP of 4.79, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]benzenesulfonamide is sourced from PubChem (CID 143678928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).