N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide

C11H10Cl2N2O3S2 — CID 63258569

IUPACN-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCOc1ccc(N)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H10Cl2N2O3S2/c1-18-6-2-3-7(14)8(4-6)15-20(16,17)9-5-10(12)19-11(9)13/h2-5,15H,14H2,1H3
InChIKeySHLFNPJETOSXGO-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.45
Rot. Bonds4

About N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide

N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 63258569) has the molecular formula C11H10Cl2N2O3S2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID63258569
Molecular FormulaC11H10Cl2N2O3S2
Molecular Weight353.25 g/mol
Exact Mass351.95
IUPAC NameN-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCOc1ccc(N)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H10Cl2N2O3S2/c1-18-6-2-3-7(14)8(4-6)15-20(16,17)9-5-10(12)19-11(9)13/h2-5,15H,14H2,1H3
InChIKeySHLFNPJETOSXGO-UHFFFAOYSA-N
XLogP3.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 104814671
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide
CID 5199198
N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride
CID 119421686
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859
N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 116813707

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide (CID 63258569) is N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide is COc1ccc(N)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is SHLFNPJETOSXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3S2/c1-18-6-2-3-7(14)8(4-6)15-20(16,17)9-5-10(12)19-11(9)13/h2-5,15H,14H2,1H3.
What are the key properties of N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 353.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 63258569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).