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

C11H13N3O2S3 — CID 903641

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCCSc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C11H13N3O2S3/c1-3-17-11-13-12-10(18-11)14-19(15,16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyNHADERGWMVEIIK-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.76
Rot. Bonds5

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 903641) has the molecular formula C11H13N3O2S3 and a molecular weight of 315.45 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID903641
Molecular FormulaC11H13N3O2S3
Molecular Weight315.45 g/mol
Exact Mass315.02
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCCSc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C11H13N3O2S3/c1-3-17-11-13-12-10(18-11)14-19(15,16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyNHADERGWMVEIIK-UHFFFAOYSA-N
XLogP2.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide (CID 903641) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide is CCSc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is NHADERGWMVEIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S3/c1-3-17-11-13-12-10(18-11)14-19(15,16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 315.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 903641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).