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

C12H15N3O2S2 — CID 75379098

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide
SMILESCCc1nnc(NS(=O)(=O)CCc2ccccc2)s1
InChIInChI=1S/C12H15N3O2S2/c1-2-11-13-14-12(18-11)15-19(16,17)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)
InChIKeyJANGAHJWVRBFAK-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.08
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide (PubChem CID 75379098) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide
PubChem CID75379098
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide
SMILESCCc1nnc(NS(=O)(=O)CCc2ccccc2)s1
InChIInChI=1S/C12H15N3O2S2/c1-2-11-13-14-12(18-11)15-19(16,17)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)
InChIKeyJANGAHJWVRBFAK-UHFFFAOYSA-N
XLogP2.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]benzoic acid
CID 107641494
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
CID 107641511
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide
CID 100668013
2-(ethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 107642976
methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate
CID 107641516
(5-benzyl-1,3,4-thiadiazol-2-yl)sulfamic acid
CID 174221650
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide
CID 82176565
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106089754
N-[2-[5-(benzylsulfonylamino)-1,3,4-thiadiazol-2-yl]ethyl]-4-methylbenzenesulfonamide
CID 17193206

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide (CID 75379098) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide is CCc1nnc(NS(=O)(=O)CCc2ccccc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide?
The InChIKey is JANGAHJWVRBFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-2-11-13-14-12(18-11)15-19(16,17)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 2.08, 6 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-phenylethanesulfonamide is sourced from PubChem (CID 75379098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).