N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide

C15H19Cl2N3O2S2 — CID 2805435

IUPACN-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESCN(C)c1cccc(N(C)C)c1CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H19Cl2N3O2S2/c1-19(2)11-6-5-7-12(20(3)4)10(11)9-18-24(21,22)13-8-14(16)23-15(13)17/h5-8,18H,9H2,1-4H3
InChIKeyQVZHZHYQVVKRKX-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.67
Rot. Bonds6

About N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide

N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 2805435) has the molecular formula C15H19Cl2N3O2S2 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
PubChem CID2805435
Molecular FormulaC15H19Cl2N3O2S2
Molecular Weight408.38 g/mol
Exact Mass407.03
IUPAC NameN-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESCN(C)c1cccc(N(C)C)c1CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H19Cl2N3O2S2/c1-19(2)11-6-5-7-12(20(3)4)10(11)9-18-24(21,22)13-8-14(16)23-15(13)17/h5-8,18H,9H2,1-4H3
InChIKeyQVZHZHYQVVKRKX-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide (CID 2805435) is N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide is CN(C)c1cccc(N(C)C)c1CNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is QVZHZHYQVVKRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2S2/c1-19(2)11-6-5-7-12(20(3)4)10(11)9-18-24(21,22)13-8-14(16)23-15(13)17/h5-8,18H,9H2,1-4H3.
What are the key properties of N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide?
N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 408.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-bis(dimethylamino)phenyl]methyl]-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 2805435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).