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

C9H9N3O3S2 — CID 847124

IUPAC4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIInChI=1S/C9H9N3O3S2/c1-15-7-2-4-8(5-3-7)17(13,14)12-9-11-10-6-16-9/h2-6H,1H3,(H,11,12)
InChIKeyZYHVYCQAGFWSHS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.35
Rot. Bonds4

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

4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 847124) has the molecular formula C9H9N3O3S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID847124
Molecular FormulaC9H9N3O3S2
Molecular Weight271.32 g/mol
Exact Mass271.01
IUPAC Name4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIInChI=1S/C9H9N3O3S2/c1-15-7-2-4-8(5-3-7)17(13,14)12-9-11-10-6-16-9/h2-6H,1H3,(H,11,12)
InChIKeyZYHVYCQAGFWSHS-UHFFFAOYSA-N
XLogP1.35
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 847124) is 4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nncs2)cc1.
What is the InChIKey of 4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is ZYHVYCQAGFWSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S2/c1-15-7-2-4-8(5-3-7)17(13,14)12-9-11-10-6-16-9/h2-6H,1H3,(H,11,12).
What are the key properties of 4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 271.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 847124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).