2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C12H12Cl2N2O2S2 — CID 62842182

IUPAC2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(N)cc(Cl)cc1Cl)c1ccsc1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-7(8-2-3-19-6-8)16-20(17,18)12-10(14)4-9(13)5-11(12)15/h2-7,16H,15H2,1H3
InChIKeyQEOSFQBYWXPQHM-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.68
Rot. Bonds4

About 2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide

2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 62842182) has the molecular formula C12H12Cl2N2O2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID62842182
Molecular FormulaC12H12Cl2N2O2S2
Molecular Weight351.28 g/mol
Exact Mass349.97
IUPAC Name2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(N)cc(Cl)cc1Cl)c1ccsc1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-7(8-2-3-19-6-8)16-20(17,18)12-10(14)4-9(13)5-11(12)15/h2-7,16H,15H2,1H3
InChIKeyQEOSFQBYWXPQHM-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

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056522
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 116791823
2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248033
2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83178059
2-chloro-4-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 107090063
4-chloro-1-N-(1-thiophen-3-ylethyl)benzene-1,2-diamine
CID 62840811
5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 79962257
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301
3,5-dimethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 62844265
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 62842182) is 2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1c(N)cc(Cl)cc1Cl)c1ccsc1.
What is the InChIKey of 2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is QEOSFQBYWXPQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S2/c1-7(8-2-3-19-6-8)16-20(17,18)12-10(14)4-9(13)5-11(12)15/h2-7,16H,15H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide 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 2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62842182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).