4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide

C12H12Cl2N2O2S2 — CID 61298597

IUPAC4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)cs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O2S2/c1-7(10-3-2-8(13)4-11(10)14)16-20(17,18)12-5-9(15)6-19-12/h2-7,16H,15H2,1H3
InChIKeyHPEIQYWTWZWKCA-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.68
Rot. Bonds4

About 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide

4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 61298597) has the molecular formula C12H12Cl2N2O2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID61298597
Molecular FormulaC12H12Cl2N2O2S2
Molecular Weight351.28 g/mol
Exact Mass349.97
IUPAC Name4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)cs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O2S2/c1-7(10-3-2-8(13)4-11(10)14)16-20(17,18)12-5-9(15)6-19-12/h2-7,16H,15H2,1H3
InChIKeyHPEIQYWTWZWKCA-UHFFFAOYSA-N
XLogP3.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 61299031
4-amino-N-[1-(4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 61299029
4-amino-N-(2,5-dichlorophenyl)thiophene-2-sulfonamide
CID 61299181
N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
CID 47108536
4-amino-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 61301108
5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81374909
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide
CID 95762229
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 54906241
3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 7510137
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106467335
methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
CID 31761098
N-[1-(2,4-dichlorophenyl)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 106031101

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide (CID 61298597) is 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1cc(N)cs1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is HPEIQYWTWZWKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S2/c1-7(10-3-2-8(13)4-11(10)14)16-20(17,18)12-5-9(15)6-19-12/h2-7,16H,15H2,1H3.
What are the key properties of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide?
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 351.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61298597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).