3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C13H14Cl2N2O2S2 — CID 106056522

IUPAC3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(CN)c1Cl)c1ccsc1
InChIInChI=1S/C13H14Cl2N2O2S2/c1-8(9-2-3-20-7-9)17-21(18,19)12-5-11(14)4-10(6-16)13(12)15/h2-5,7-8,17H,6,16H2,1H3
InChIKeyJEMYDPXFMFNRTL-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.55
Rot. Bonds5

About 3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide

3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 106056522) has the molecular formula C13H14Cl2N2O2S2 and a molecular weight of 365.31 g/mol. Its IUPAC name is 3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID106056522
Molecular FormulaC13H14Cl2N2O2S2
Molecular Weight365.31 g/mol
Exact Mass363.99
IUPAC Name3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(CN)c1Cl)c1ccsc1
InChIInChI=1S/C13H14Cl2N2O2S2/c1-8(9-2-3-20-7-9)17-21(18,19)12-5-11(14)4-10(6-16)13(12)15/h2-5,7-8,17H,6,16H2,1H3
InChIKeyJEMYDPXFMFNRTL-UHFFFAOYSA-N
XLogP3.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218611
3-(aminomethyl)-2,5-dichloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053720
2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62842182
3-(aminomethyl)-2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051329
5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056485
3-(aminomethyl)-2,5-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054214
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610
1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 106056537
2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide
CID 79203391
5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844249
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 106056522) is 3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(Cl)cc(CN)c1Cl)c1ccsc1.
What is the InChIKey of 3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is JEMYDPXFMFNRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S2/c1-8(9-2-3-20-7-9)17-21(18,19)12-5-11(14)4-10(6-16)13(12)15/h2-5,7-8,17H,6,16H2,1H3.
What are the key properties of 3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 365.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106056522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).