2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H12Cl3NO2S2 — CID 55870758

IUPAC2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl3NO2S2/c1-2-17(8-10-4-3-5-20-10)21(18,19)13-11(15)6-9(14)7-12(13)16/h3-7H,2,8H2,1H3
InChIKeyPNCCKNSVQSWZNG-UHFFFAOYSA-N
MW384.74 g/mol
LogP4.92
Rot. Bonds5

About 2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 55870758) has the molecular formula C13H12Cl3NO2S2 and a molecular weight of 384.74 g/mol. Its IUPAC name is 2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID55870758
Molecular FormulaC13H12Cl3NO2S2
Molecular Weight384.74 g/mol
Exact Mass382.94
IUPAC Name2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl3NO2S2/c1-2-17(8-10-4-3-5-20-10)21(18,19)13-11(15)6-9(14)7-12(13)16/h3-7H,2,8H2,1H3
InChIKeyPNCCKNSVQSWZNG-UHFFFAOYSA-N
XLogP4.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.74
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-chloro-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 114379149
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61042679
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61113928
2,6-dichloro-N,N-diethylbenzenesulfonamide
CID 3331535
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437971
4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 79179449

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 55870758) is 2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is PNCCKNSVQSWZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NO2S2/c1-2-17(8-10-4-3-5-20-10)21(18,19)13-11(15)6-9(14)7-12(13)16/h3-7H,2,8H2,1H3.
What are the key properties of 2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 384.74 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55870758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).