2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C10H12N4O2S2 — CID 103171057

IUPAC2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2nncs2)c1N
InChIInChI=1S/C10H12N4O2S2/c1-6-3-4-7(2)9(8(6)11)18(15,16)14-10-13-12-5-17-10/h3-5H,11H2,1-2H3,(H,13,14)
InChIKeyKPLRAFABRBGSQH-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.54
Rot. Bonds3

About 2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 103171057) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID103171057
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2nncs2)c1N
InChIInChI=1S/C10H12N4O2S2/c1-6-3-4-7(2)9(8(6)11)18(15,16)14-10-13-12-5-17-10/h3-5H,11H2,1-2H3,(H,13,14)
InChIKeyKPLRAFABRBGSQH-UHFFFAOYSA-N
XLogP1.54
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 103171057) is 2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2nncs2)c1N.
What is the InChIKey of 2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is KPLRAFABRBGSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-6-3-4-7(2)9(8(6)11)18(15,16)14-10-13-12-5-17-10/h3-5H,11H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 284.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 103171057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).