N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide

C11H13N3O2S2 — CID 103740815

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccccc2C)s1
InChIInChI=1S/C11H13N3O2S2/c1-3-10-12-13-11(17-10)14-18(15,16)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyTXBZPLVQVASKAB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.21
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide (PubChem CID 103740815) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
PubChem CID103740815
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccccc2C)s1
InChIInChI=1S/C11H13N3O2S2/c1-3-10-12-13-11(17-10)14-18(15,16)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyTXBZPLVQVASKAB-UHFFFAOYSA-N
XLogP2.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide (CID 103740815) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccccc2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is TXBZPLVQVASKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-3-10-12-13-11(17-10)14-18(15,16)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103740815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).