(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide

C18H20BrNO4S — CID 110519011

IUPAC(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC(C)C
InChIInChI=1S/C18H20BrNO4S/c1-12(2)24-18-16(19)9-14(10-17(18)23-4)11-20-25(21,22)15-7-5-13(3)6-8-15/h5-12H,1-4H3/b20-11-
InChIKeySFJUIGOKWJTSFD-JAIQZWGSSA-N
MW426.33 g/mol
LogP4.36
Rot. Bonds6

About (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide

(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 110519011) has the molecular formula C18H20BrNO4S and a molecular weight of 426.33 g/mol. Its IUPAC name is (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID110519011
Molecular FormulaC18H20BrNO4S
Molecular Weight426.33 g/mol
Exact Mass425.03
IUPAC Name(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC(C)C
InChIInChI=1S/C18H20BrNO4S/c1-12(2)24-18-16(19)9-14(10-17(18)23-4)11-20-25(21,22)15-7-5-13(3)6-8-15/h5-12H,1-4H3/b20-11-
InChIKeySFJUIGOKWJTSFD-JAIQZWGSSA-N
XLogP4.36
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6134725
(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide
CID 110518789
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518635
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 5398997
(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 136873764
2-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]guanidine
CID 168592761
(E)-3-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 19618045
(4Z)-4-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19662116
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334
[(E)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]thiourea
CID 19618047
(NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 110518910
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 110514781

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide (CID 110519011) is (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide is COc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC(C)C.
What is the InChIKey of (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is SFJUIGOKWJTSFD-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H20BrNO4S/c1-12(2)24-18-16(19)9-14(10-17(18)23-4)11-20-25(21,22)15-7-5-13(3)6-8-15/h5-12H,1-4H3/b20-11-.
What are the key properties of (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 426.33 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110519011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).