4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C11H13N3O4S2 — CID 750630

IUPAC4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCOCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C11H13N3O4S2/c1-17-7-10-12-13-11(19-10)14-20(15,16)9-5-3-8(18-2)4-6-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyHWANRMZBMRDSNS-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.49
Rot. Bonds6

About 4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 750630) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID750630
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCOCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C11H13N3O4S2/c1-17-7-10-12-13-11(19-10)14-20(15,16)9-5-3-8(18-2)4-6-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyHWANRMZBMRDSNS-UHFFFAOYSA-N
XLogP1.49
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 750630) is 4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is COCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of 4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is HWANRMZBMRDSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-17-7-10-12-13-11(19-10)14-20(15,16)9-5-3-8(18-2)4-6-9/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 315.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 750630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).