2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C9H10N4O2S2 — CID 3010784

IUPAC2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCNc1nnc(-c2ccccc2S(N)(=O)=O)s1
InChIInChI=1S/C9H10N4O2S2/c1-11-9-13-12-8(16-9)6-4-2-3-5-7(6)17(10,14)15/h2-5H,1H3,(H,11,13)(H2,10,14,15)
InChIKeyZBEAXIPDBQJYRX-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.89
Rot. Bonds3

About 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 3010784) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID3010784
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCNc1nnc(-c2ccccc2S(N)(=O)=O)s1
InChIInChI=1S/C9H10N4O2S2/c1-11-9-13-12-8(16-9)6-4-2-3-5-7(6)17(10,14)15/h2-5H,1H3,(H,11,13)(H2,10,14,15)
InChIKeyZBEAXIPDBQJYRX-UHFFFAOYSA-N
XLogP0.89
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamide
CID 44571849
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 626230
1,1-dioxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-benzothiazol-3-amine
CID 893505
N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine
CID 862405
Benzenesulfonamide, 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-methyl-
CID 158673
2-[5-(2-Methylsulfinylphenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
CID 45263036
1-(5-Ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)sulfonylthiourea
CID 172450388
1-(4-Methylphenyl)sulfonyl-3-(5-pentyl-1,3,4-thiadiazol-2-yl)thiourea
CID 172460953
1-[5-(3-Methylbutyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)sulfonylthiourea
CID 172467186
2-(5-Amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 3010783
2-[5-(Allylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 3010785
2-[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 3010786

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 3010784) is 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is CNc1nnc(-c2ccccc2S(N)(=O)=O)s1.
What is the InChIKey of 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is ZBEAXIPDBQJYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c1-11-9-13-12-8(16-9)6-4-2-3-5-7(6)17(10,14)15/h2-5H,1H3,(H,11,13)(H2,10,14,15).
What are the key properties of 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 270.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3010784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).