N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide

C10H12N4O2S2 — CID 92659518

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
SMILESNc1nnc(CCNS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H12N4O2S2/c11-10-14-13-9(17-10)6-7-12-18(15,16)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,11,14)
InChIKeySYDVENCEJWQOCQ-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.64
Rot. Bonds5

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 92659518) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID92659518
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
SMILESNc1nnc(CCNS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H12N4O2S2/c11-10-14-13-9(17-10)6-7-12-18(15,16)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,11,14)
InChIKeySYDVENCEJWQOCQ-UHFFFAOYSA-N
XLogP0.64
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide
CID 46785999
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110400963
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
N-[2-[5-(benzylsulfonylamino)-1,3,4-thiadiazol-2-yl]ethyl]-4-methylbenzenesulfonamide
CID 17193206
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 92659524
3-(benzenesulfonamido)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17225954
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
(E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 91790359
2-[4-[2-(benzenesulfonamido)ethyl]phenyl]acetamide
CID 54332606
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193287

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide (CID 92659518) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide is Nc1nnc(CCNS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SYDVENCEJWQOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c11-10-14-13-9(17-10)6-7-12-18(15,16)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,11,14).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 284.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 92659518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).