5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide

C10H12N4O2S3 — CID 79905162

IUPAC5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide
SMILESCc1nnc(Sc2cc(N)cc(S(N)(=O)=O)c2C)s1
InChIInChI=1S/C10H12N4O2S3/c1-5-8(18-10-14-13-6(2)17-10)3-7(11)4-9(5)19(12,15)16/h3-4H,11H2,1-2H3,(H2,12,15,16)
InChIKeyXCVOOAFGHAOHMB-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.54
Rot. Bonds3

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

5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide (PubChem CID 79905162) has the molecular formula C10H12N4O2S3 and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide
PubChem CID79905162
Molecular FormulaC10H12N4O2S3
Molecular Weight316.43 g/mol
Exact Mass316.01
IUPAC Name5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide
SMILESCc1nnc(Sc2cc(N)cc(S(N)(=O)=O)c2C)s1
InChIInChI=1S/C10H12N4O2S3/c1-5-8(18-10-14-13-6(2)17-10)3-7(11)4-9(5)19(12,15)16/h3-4H,11H2,1-2H3,(H2,12,15,16)
InChIKeyXCVOOAFGHAOHMB-UHFFFAOYSA-N
XLogP1.54
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide (CID 79905162) is 5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide is Cc1nnc(Sc2cc(N)cc(S(N)(=O)=O)c2C)s1.
What is the InChIKey of 5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide?
The InChIKey is XCVOOAFGHAOHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S3/c1-5-8(18-10-14-13-6(2)17-10)3-7(11)4-9(5)19(12,15)16/h3-4H,11H2,1-2H3,(H2,12,15,16).
What are the key properties of 5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide?
5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide is sourced from PubChem (CID 79905162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).