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

C8H8N4O2S2 — CID 15131168

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESNc1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C8H8N4O2S2/c9-7-10-11-8(15-7)12-16(13,14)6-4-2-1-3-5-6/h1-5H,(H2,9,10)(H,11,12)
InChIKeyKHVQWBZRCVLKSL-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.92
Rot. Bonds3

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

N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 15131168) has the molecular formula C8H8N4O2S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID15131168
Molecular FormulaC8H8N4O2S2
Molecular Weight256.31 g/mol
Exact Mass256.01
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESNc1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C8H8N4O2S2/c9-7-10-11-8(15-7)12-16(13,14)6-4-2-1-3-5-6/h1-5H,(H2,9,10)(H,11,12)
InChIKeyKHVQWBZRCVLKSL-UHFFFAOYSA-N
XLogP0.92
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 15131168) is N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Nc1nnc(NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is KHVQWBZRCVLKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S2/c9-7-10-11-8(15-7)12-16(13,14)6-4-2-1-3-5-6/h1-5H,(H2,9,10)(H,11,12).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 256.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 15131168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).