(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide

C13H12BrNO3S2 — CID 110518572

IUPAC(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCCOc1ccc(/C=N\S(=O)(=O)c2cccs2)cc1Br
InChIInChI=1S/C13H12BrNO3S2/c1-2-18-12-6-5-10(8-11(12)14)9-15-20(16,17)13-4-3-7-19-13/h3-9H,2H2,1H3/b15-9-
InChIKeyZFOWYNLQOLRMAF-DHDCSXOGSA-N
MW374.28 g/mol
LogP3.72
Rot. Bonds5

About (NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide

(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide (PubChem CID 110518572) has the molecular formula C13H12BrNO3S2 and a molecular weight of 374.28 g/mol. Its IUPAC name is (NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
PubChem CID110518572
Molecular FormulaC13H12BrNO3S2
Molecular Weight374.28 g/mol
Exact Mass372.94
IUPAC Name(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCCOc1ccc(/C=N\S(=O)(=O)c2cccs2)cc1Br
InChIInChI=1S/C13H12BrNO3S2/c1-2-18-12-6-5-10(8-11(12)14)9-15-20(16,17)13-4-3-7-19-13/h3-9H,2H2,1H3/b15-9-
InChIKeyZFOWYNLQOLRMAF-DHDCSXOGSA-N
XLogP3.72
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518583
(NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518596
(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518625
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518635
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507418
(NZ)-N-[(3-methoxy-5-nitro-4-propoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518547
N-[[3-bromo-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20985545
(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518761
2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide
CID 110518118
N-ethylidenethiophene-2-sulfonamide
CID 141046508
(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 136873764
(NE)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-chlorobenzenesulfonamide
CID 135688610

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide (CID 110518572) is (NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide is CCOc1ccc(/C=N\S(=O)(=O)c2cccs2)cc1Br.
What is the InChIKey of (NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide?
The InChIKey is ZFOWYNLQOLRMAF-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H12BrNO3S2/c1-2-18-12-6-5-10(8-11(12)14)9-15-20(16,17)13-4-3-7-19-13/h3-9H,2H2,1H3/b15-9-.
What are the key properties of (NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide?
(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide has a molecular weight of 374.28 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 110518572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).