2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide

C16H14Cl2N2O3S2 — CID 50899772

IUPAC2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide
SMILESCc1cc2cc(C(=O)c3cccc(Cl)c3Cl)sc2n1S(=O)(=O)N(C)C
InChIInChI=1S/C16H14Cl2N2O3S2/c1-9-7-10-8-13(15(21)11-5-4-6-12(17)14(11)18)24-16(10)20(9)25(22,23)19(2)3/h4-8H,1-3H3
InChIKeyVKVRIBYMDBFDFS-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.20
Rot. Bonds4

About 2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide

2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide (PubChem CID 50899772) has the molecular formula C16H14Cl2N2O3S2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide.

Molecular Properties

Compound Name2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide
PubChem CID50899772
Molecular FormulaC16H14Cl2N2O3S2
Molecular Weight417.34 g/mol
Exact Mass415.98
IUPAC Name2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide
SMILESCc1cc2cc(C(=O)c3cccc(Cl)c3Cl)sc2n1S(=O)(=O)N(C)C
InChIInChI=1S/C16H14Cl2N2O3S2/c1-9-7-10-8-13(15(21)11-5-4-6-12(17)14(11)18)24-16(10)20(9)25(22,23)19(2)3/h4-8H,1-3H3
InChIKeyVKVRIBYMDBFDFS-UHFFFAOYSA-N
XLogP4.20
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide?
The IUPAC name of 2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide (CID 50899772) is 2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide.
What is the SMILES notation for 2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide?
The canonical SMILES for 2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide is Cc1cc2cc(C(=O)c3cccc(Cl)c3Cl)sc2n1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide?
The InChIKey is VKVRIBYMDBFDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S2/c1-9-7-10-8-13(15(21)11-5-4-6-12(17)14(11)18)24-16(10)20(9)25(22,23)19(2)3/h4-8H,1-3H3.
What are the key properties of 2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide?
2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide has a molecular weight of 417.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorobenzoyl)-N,N,5-trimethylthieno[2,3-b]pyrrole-6-sulfonamide is sourced from PubChem (CID 50899772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).