4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide

C14H20N4O4S2 — CID 57396889

IUPAC4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide
SMILESCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)s1
InChIInChI=1S/C14H20N4O4S2/c1-15-14-17-16-13(23-14)7-9-6-10(21-4)11(22-5)8-12(9)24(19,20)18(2)3/h6,8H,7H2,1-5H3,(H,15,17)
InChIKeyHYXQVQUZUZHECP-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.44
Rot. Bonds7

About 4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide

4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 57396889) has the molecular formula C14H20N4O4S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide
PubChem CID57396889
Molecular FormulaC14H20N4O4S2
Molecular Weight372.47 g/mol
Exact Mass372.09
IUPAC Name4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide
SMILESCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)s1
InChIInChI=1S/C14H20N4O4S2/c1-15-14-17-16-13(23-14)7-9-6-10(21-4)11(22-5)8-12(9)24(19,20)18(2)3/h6,8H,7H2,1-5H3,(H,15,17)
InChIKeyHYXQVQUZUZHECP-UHFFFAOYSA-N
XLogP1.44
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide (CID 57396889) is 4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide is CNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)s1.
What is the InChIKey of 4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is HYXQVQUZUZHECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S2/c1-15-14-17-16-13(23-14)7-9-6-10(21-4)11(22-5)8-12(9)24(19,20)18(2)3/h6,8H,7H2,1-5H3,(H,15,17).
What are the key properties of 4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide?
4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 372.47 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N,N-dimethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 57396889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).