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

C11H13N3O3S2 — CID 856748

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C11H13N3O3S2/c1-3-10-12-13-11(18-10)14-19(15,16)9-6-4-8(17-2)5-7-9/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyLQLQSMXWQAPUME-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.91
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 856748) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
PubChem CID856748
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C11H13N3O3S2/c1-3-10-12-13-11(18-10)14-19(15,16)9-6-4-8(17-2)5-7-9/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyLQLQSMXWQAPUME-UHFFFAOYSA-N
XLogP1.91
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-N-(5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 234310
N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 2177065
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 840138
Benzenesulfonamide, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-p-methoxy-
CID 198956
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}methanesulfonamide
CID 6461687
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 1094170
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 2928745
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 750631
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787504
4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 750630
4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide
CID 847124
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 750627

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide (CID 856748) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is LQLQSMXWQAPUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-3-10-12-13-11(18-10)14-19(15,16)9-6-4-8(17-2)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-methoxybenzenesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 299.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 856748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).