4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C10H11N3O3S2 — CID 787504

IUPAC4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C10H11N3O3S2/c1-7-11-12-10(17-7)13-18(14,15)9-5-3-8(16-2)4-6-9/h3-6H,1-2H3,(H,12,13)
InChIKeyAOYYXSSHGSXBAZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.66
Rot. Bonds4

About 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 787504) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID787504
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC Name4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C10H11N3O3S2/c1-7-11-12-10(17-7)13-18(14,15)9-5-3-8(16-2)4-6-9/h3-6H,1-2H3,(H,12,13)
InChIKeyAOYYXSSHGSXBAZ-UHFFFAOYSA-N
XLogP1.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 787504) is 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is AOYYXSSHGSXBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S2/c1-7-11-12-10(17-7)13-18(14,15)9-5-3-8(16-2)4-6-9/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 285.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 787504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).