N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide

C11H10Cl2N2O3S2 — CID 43604989

IUPACN-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1N
InChIInChI=1S/C11H10Cl2N2O3S2/c1-18-8-4-6(2-3-7(8)14)15-20(16,17)9-5-10(12)19-11(9)13/h2-5,15H,14H2,1H3
InChIKeyVGIOALJKAFVRIP-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.45
Rot. Bonds4

About N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide

N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 43604989) has the molecular formula C11H10Cl2N2O3S2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID43604989
Molecular FormulaC11H10Cl2N2O3S2
Molecular Weight353.25 g/mol
Exact Mass351.95
IUPAC NameN-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1N
InChIInChI=1S/C11H10Cl2N2O3S2/c1-18-8-4-6(2-3-7(8)14)15-20(16,17)9-5-10(12)19-11(9)13/h2-5,15H,14H2,1H3
InChIKeyVGIOALJKAFVRIP-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-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 63258569
2,5-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 17495366
N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43605036
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
CID 3600344
2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
CID 18289175

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide (CID 43604989) is N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide is COc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is VGIOALJKAFVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3S2/c1-18-8-4-6(2-3-7(8)14)15-20(16,17)9-5-10(12)19-11(9)13/h2-5,15H,14H2,1H3.
What are the key properties of N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(4-amino-3-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-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 43604989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).