(NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide

C13H11Cl2NO3S2 — CID 110518583

IUPAC(NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCCOc1c(Cl)cc(/C=N\S(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C13H11Cl2NO3S2/c1-2-19-13-10(14)6-9(7-11(13)15)8-16-21(17,18)12-4-3-5-20-12/h3-8H,2H2,1H3/b16-8-
InChIKeyCJGDQOFVZLWPKW-PXNMLYILSA-N
MW364.28 g/mol
LogP4.26
Rot. Bonds5

About (NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide

(NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide (PubChem CID 110518583) has the molecular formula C13H11Cl2NO3S2 and a molecular weight of 364.28 g/mol. Its IUPAC name is (NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
PubChem CID110518583
Molecular FormulaC13H11Cl2NO3S2
Molecular Weight364.28 g/mol
Exact Mass362.96
IUPAC Name(NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCCOc1c(Cl)cc(/C=N\S(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C13H11Cl2NO3S2/c1-2-19-13-10(14)6-9(7-11(13)15)8-16-21(17,18)12-4-3-5-20-12/h3-8H,2H2,1H3/b16-8-
InChIKeyCJGDQOFVZLWPKW-PXNMLYILSA-N
XLogP4.26
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.26
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-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518596
(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518572
(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518625
(NZ)-N-[(3-methoxy-5-nitro-4-propoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518547
(NZ)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518758
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518635
N-ethylidenethiophene-2-sulfonamide
CID 141046508
(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylidene]thiophene-2-sulfonamide
CID 110518538
N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide
CID 687527
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525702
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517346
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873641

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide (CID 110518583) is (NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide is CCOc1c(Cl)cc(/C=N\S(=O)(=O)c2cccs2)cc1Cl.
What is the InChIKey of (NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide?
The InChIKey is CJGDQOFVZLWPKW-PXNMLYILSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S2/c1-2-19-13-10(14)6-9(7-11(13)15)8-16-21(17,18)12-4-3-5-20-12/h3-8H,2H2,1H3/b16-8-.
What are the key properties of (NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide?
(NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide has a molecular weight of 364.28 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 110518583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).