5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide

C8H13ClN2O4S3 — CID 2820980

IUPAC5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)s1
InChIInChI=1S/C8H13ClN2O4S3/c1-10(2)17(12,13)6-5-7(16-8(6)9)18(14,15)11(3)4/h5H,1-4H3
InChIKeyNVMYYJKJTFHTIM-UHFFFAOYSA-N
MW332.86 g/mol
LogP0.90
Rot. Bonds4

About 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide

5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide (PubChem CID 2820980) has the molecular formula C8H13ClN2O4S3 and a molecular weight of 332.86 g/mol. Its IUPAC name is 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide.

Molecular Properties

Compound Name5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide
PubChem CID2820980
Molecular FormulaC8H13ClN2O4S3
Molecular Weight332.86 g/mol
Exact Mass331.97
IUPAC Name5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)s1
InChIInChI=1S/C8H13ClN2O4S3/c1-10(2)17(12,13)6-5-7(16-8(6)9)18(14,15)11(3)4/h5H,1-4H3
InChIKeyNVMYYJKJTFHTIM-UHFFFAOYSA-N
XLogP0.90
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide?
The IUPAC name of 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide (CID 2820980) is 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide.
What is the SMILES notation for 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide?
The canonical SMILES for 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide is CN(C)S(=O)(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)s1.
What is the InChIKey of 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide?
The InChIKey is NVMYYJKJTFHTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O4S3/c1-10(2)17(12,13)6-5-7(16-8(6)9)18(14,15)11(3)4/h5H,1-4H3.
What are the key properties of 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide?
5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide has a molecular weight of 332.86 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide is sourced from PubChem (CID 2820980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).