N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide

C12H10Cl2N2O3S2 — CID 43444002

IUPACN-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CS(=O)(=O)c1cccs1
InChIInChI=1S/C12H10Cl2N2O3S2/c13-7-4-8(14)12(9(15)5-7)16-10(17)6-21(18,19)11-2-1-3-20-11/h1-5H,6,15H2,(H,16,17)
InChIKeyLNCJIELMFTWJAD-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.05
Rot. Bonds4

About N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide

N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide (PubChem CID 43444002) has the molecular formula C12H10Cl2N2O3S2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide
PubChem CID43444002
Molecular FormulaC12H10Cl2N2O3S2
Molecular Weight365.26 g/mol
Exact Mass363.95
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CS(=O)(=O)c1cccs1
InChIInChI=1S/C12H10Cl2N2O3S2/c13-7-4-8(14)12(9(15)5-7)16-10(17)6-21(18,19)11-2-1-3-20-11/h1-5H,6,15H2,(H,16,17)
InChIKeyLNCJIELMFTWJAD-UHFFFAOYSA-N
XLogP3.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.05
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-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443998
N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443995
N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43444010
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
CID 61304232
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
CID 42100169
N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 43443981
N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide
CID 61286405
N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 62803542
N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide
CID 62881177
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide (CID 43444002) is N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide?
The InChIKey is LNCJIELMFTWJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3S2/c13-7-4-8(14)12(9(15)5-7)16-10(17)6-21(18,19)11-2-1-3-20-11/h1-5H,6,15H2,(H,16,17).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide?
N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide has a molecular weight of 365.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 43444002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).