N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide

C12H11N3O3S2 — CID 106265098

IUPACN-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H11N3O3S2/c1-18-11-6-8(14)2-4-10(11)15-20(16,17)12-5-3-9(7-13)19-12/h2-6,15H,14H2,1H3
InChIKeyILWGGQYXDLGPRI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.01
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide

N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106265098) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106265098
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC NameN-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H11N3O3S2/c1-18-11-6-8(14)2-4-10(11)15-20(16,17)12-5-3-9(7-13)19-12/h2-6,15H,14H2,1H3
InChIKeyILWGGQYXDLGPRI-UHFFFAOYSA-N
XLogP2.01
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 114612830
N-(5-amino-2-pyridinyl)-5-cyanothiophene-2-sulfonamide
CID 106265124
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454236
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide (CID 106265098) is N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide is COc1cc(N)ccc1NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is ILWGGQYXDLGPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c1-18-11-6-8(14)2-4-10(11)15-20(16,17)12-5-3-9(7-13)19-12/h2-6,15H,14H2,1H3.
What are the key properties of N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide?
N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106265098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).