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

C11H13N3O3S3 — CID 840138

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
SMILESCCSc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C11H13N3O3S3/c1-3-18-11-13-12-10(19-11)14-20(15,16)9-6-4-8(17-2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyXAXYQHIDCAPZTH-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.46
Rot. Bonds6

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 840138) has the molecular formula C11H13N3O3S3 and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
PubChem CID840138
Molecular FormulaC11H13N3O3S3
Molecular Weight331.44 g/mol
Exact Mass331.01
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
SMILESCCSc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C11H13N3O3S3/c1-3-18-11-13-12-10(19-11)14-20(15,16)9-6-4-8(17-2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyXAXYQHIDCAPZTH-UHFFFAOYSA-N
XLogP2.46
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Methoxy-N-(5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 234310
Benzenesulfonamide, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-p-methoxy-
CID 198956
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 1094170
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
5-[(2-Phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 659931
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-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 100351839
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 750627
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744632
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744641

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide (CID 840138) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide is CCSc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is XAXYQHIDCAPZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S3/c1-3-18-11-13-12-10(19-11)14-20(15,16)9-6-4-8(17-2)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-methoxybenzenesulfonamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 840138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).