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

C15H16BrNO4S2 — CID 110518635

IUPAC(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCOc1cc(/C=N\S(=O)(=O)c2cccs2)cc(Br)c1OC(C)C
InChIInChI=1S/C15H16BrNO4S2/c1-10(2)21-15-12(16)7-11(8-13(15)20-3)9-17-23(18,19)14-5-4-6-22-14/h4-10H,1-3H3/b17-9-
InChIKeyFJVHJSGAOFBXOL-MFOYZWKCSA-N
MW418.33 g/mol
LogP4.11
Rot. Bonds6

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

(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide (PubChem CID 110518635) has the molecular formula C15H16BrNO4S2 and a molecular weight of 418.33 g/mol. Its IUPAC name is (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide
PubChem CID110518635
Molecular FormulaC15H16BrNO4S2
Molecular Weight418.33 g/mol
Exact Mass416.97
IUPAC Name(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCOc1cc(/C=N\S(=O)(=O)c2cccs2)cc(Br)c1OC(C)C
InChIInChI=1S/C15H16BrNO4S2/c1-10(2)21-15-12(16)7-11(8-13(15)20-3)9-17-23(18,19)14-5-4-6-22-14/h4-10H,1-3H3/b17-9-
InChIKeyFJVHJSGAOFBXOL-MFOYZWKCSA-N
XLogP4.11
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 110519011
(NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518596
(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide
CID 110518789
(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518572
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 5398997
(NZ)-N-[(3-methoxy-5-nitro-4-propoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518547
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6134725
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 110514781
(NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518583
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
(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylidene]thiophene-2-sulfonamide
CID 110518538

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide (CID 110518635) is (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide is COc1cc(/C=N\S(=O)(=O)c2cccs2)cc(Br)c1OC(C)C.
What is the InChIKey of (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide?
The InChIKey is FJVHJSGAOFBXOL-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H16BrNO4S2/c1-10(2)21-15-12(16)7-11(8-13(15)20-3)9-17-23(18,19)14-5-4-6-22-14/h4-10H,1-3H3/b17-9-.
What are the key properties of (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide?
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide has a molecular weight of 418.33 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 110518635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).