3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide

C11H10Cl2N2O2S2 — CID 106069936

IUPAC3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide
SMILESNCc1c(Cl)ccc(S(=O)(=O)Nc2ccsc2)c1Cl
InChIInChI=1S/C11H10Cl2N2O2S2/c12-9-1-2-10(11(13)8(9)5-14)19(16,17)15-7-3-4-18-6-7/h1-4,6,15H,5,14H2
InChIKeyITNCKTFKNWFDTK-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.31
Rot. Bonds4

About 3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide

3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 106069936) has the molecular formula C11H10Cl2N2O2S2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide
PubChem CID106069936
Molecular FormulaC11H10Cl2N2O2S2
Molecular Weight337.25 g/mol
Exact Mass335.96
IUPAC Name3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide
SMILESNCc1c(Cl)ccc(S(=O)(=O)Nc2ccsc2)c1Cl
InChIInChI=1S/C11H10Cl2N2O2S2/c12-9-1-2-10(11(13)8(9)5-14)19(16,17)15-7-3-4-18-6-7/h1-4,6,15H,5,14H2
InChIKeyITNCKTFKNWFDTK-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071916
3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83145270
3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
CID 66350781
3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 106070126
3-(aminomethyl)-2,4-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079098
2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106069862
4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66350557
3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid
CID 81471366
3-(aminomethyl)-2,4-dichloro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077482
3-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327618
3-(aminomethyl)-2,4-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092715
3-(aminomethyl)-2,4-dichloro-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 106085335

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide (CID 106069936) is 3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide is NCc1c(Cl)ccc(S(=O)(=O)Nc2ccsc2)c1Cl.
What is the InChIKey of 3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is ITNCKTFKNWFDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S2/c12-9-1-2-10(11(13)8(9)5-14)19(16,17)15-7-3-4-18-6-7/h1-4,6,15H,5,14H2.
What are the key properties of 3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide?
3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 337.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 106069936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).