(E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium

C18H20N3O3S+ — CID 11844814

IUPAC(E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium
SMILESCC(C)/C(O)=C(\[N+]#N)C(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-13(2)18(22)17(20-19)16(14-9-5-3-6-10-14)21-25(23,24)15-11-7-4-8-12-15/h3-13,16,21H,1-2H3/p+1/b18-17+
InChIKeyJLFGPJDDSCWDIJ-ISLYRVAYSA-O
MW358.44 g/mol
LogP3.98
Rot. Bonds6

About (E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium

(E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium (PubChem CID 11844814) has the molecular formula C18H20N3O3S+ and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium.

Molecular Properties

Compound Name(E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium
PubChem CID11844814
Molecular FormulaC18H20N3O3S+
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name(E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium
SMILESCC(C)/C(O)=C(\[N+]#N)C(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-13(2)18(22)17(20-19)16(14-9-5-3-6-10-14)21-25(23,24)15-11-7-4-8-12-15/h3-13,16,21H,1-2H3/p+1/b18-17+
InChIKeyJLFGPJDDSCWDIJ-ISLYRVAYSA-O
XLogP3.98
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 13293571
(Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium
CID 11372807
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
CID 3676370
2-[(3-methylphenyl)sulfonylamino]-2-phenylethanethioamide
CID 61123888
2-[(3-bromophenyl)sulfonylamino]-2-phenylethanethioamide
CID 61124489
methyl 2-[(4-cyanophenyl)sulfonylamino]-2-phenylacetate
CID 3861560
N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 10840704
4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide
CID 102415816
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044

Frequently Asked Questions

What is the IUPAC name of (E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium?
The IUPAC name of (E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium (CID 11844814) is (E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium.
What is the SMILES notation for (E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium?
The canonical SMILES for (E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium is CC(C)/C(O)=C(\[N+]#N)C(NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium?
The InChIKey is JLFGPJDDSCWDIJ-ISLYRVAYSA-O. The full InChI is InChI=1S/C18H19N3O3S/c1-13(2)18(22)17(20-19)16(14-9-5-3-6-10-14)21-25(23,24)15-11-7-4-8-12-15/h3-13,16,21H,1-2H3/p+1/b18-17+.
What are the key properties of (E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium?
(E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium has a molecular weight of 358.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium is sourced from PubChem (CID 11844814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).