N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide

C12H12Cl2N2O2S2 — CID 63233523

IUPACN-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide
SMILESCCN(c1ccc(N)cc1)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H12Cl2N2O2S2/c1-2-16(9-5-3-8(15)4-6-9)20(17,18)10-7-11(13)19-12(10)14/h3-7H,2,15H2,1H3
InChIKeyZOLHAGLELACPSY-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.85
Rot. Bonds4

About N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide

N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide (PubChem CID 63233523) has the molecular formula C12H12Cl2N2O2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide
PubChem CID63233523
Molecular FormulaC12H12Cl2N2O2S2
Molecular Weight351.28 g/mol
Exact Mass349.97
IUPAC NameN-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide
SMILESCCN(c1ccc(N)cc1)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H12Cl2N2O2S2/c1-2-16(9-5-3-8(15)4-6-9)20(17,18)10-7-11(13)19-12(10)14/h3-7H,2,15H2,1H3
InChIKeyZOLHAGLELACPSY-UHFFFAOYSA-N
XLogP3.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 43458765
4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
CID 62001633
N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 63234087
N-(2-aminophenyl)-2,5-dichloro-N-propylthiophene-3-sulfonamide
CID 63230277
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
N-(4-aminophenyl)-4-bromo-N-ethylbenzenesulfonamide
CID 63233827
N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide
CID 63234172
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 63233869
N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide
CID 63233810
2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide
CID 104556518
N-(4-aminophenyl)-5-bromo-4-chloro-N-propylthiophene-2-sulfonamide
CID 80576694

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide (CID 63233523) is N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide is CCN(c1ccc(N)cc1)S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide?
The InChIKey is ZOLHAGLELACPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S2/c1-2-16(9-5-3-8(15)4-6-9)20(17,18)10-7-11(13)19-12(10)14/h3-7H,2,15H2,1H3.
What are the key properties of N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide?
N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide has a molecular weight of 351.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide is sourced from PubChem (CID 63233523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).