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

C13H18N4O2S2 — CID 106089754

IUPAC2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)Nc1nnc(CC)s1
InChIInChI=1S/C13H18N4O2S2/c1-3-12-15-16-13(20-12)17-21(18,19)11-8-6-5-7-10(11)9-14-4-2/h5-8,14H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyMRHXWFDZLJKPHF-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.01
Rot. Bonds7

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

2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 106089754) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID106089754
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)Nc1nnc(CC)s1
InChIInChI=1S/C13H18N4O2S2/c1-3-12-15-16-13(20-12)17-21(18,19)11-8-6-5-7-10(11)9-14-4-2/h5-8,14H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyMRHXWFDZLJKPHF-UHFFFAOYSA-N
XLogP2.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 107642976
2-(ethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 107642968
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000129
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 19029493
5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide
CID 106089796
2-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082837
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzenesulfonamide
CID 107642937
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 75398626
2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide
CID 106000088
N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106061384

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 106089754) is 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)Nc1nnc(CC)s1.
What is the InChIKey of 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is MRHXWFDZLJKPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-3-12-15-16-13(20-12)17-21(18,19)11-8-6-5-7-10(11)9-14-4-2/h5-8,14H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106089754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).