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

C11H13N3O2S2 — CID 749786

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C11H13N3O2S2/c1-3-10-12-13-11(17-10)14-18(15,16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyRTXZQECDUNSBPT-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.21
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 749786) 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)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID749786
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C11H13N3O2S2/c1-3-10-12-13-11(17-10)14-18(15,16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyRTXZQECDUNSBPT-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)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide (CID 749786) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is RTXZQECDUNSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-3-10-12-13-11(17-10)14-18(15,16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 749786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).