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

C9H9ClN4O2S2 — CID 28529159

IUPAC3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2nncs2)cc1Cl
InChIInChI=1S/C9H9ClN4O2S2/c1-5-7(10)2-6(3-8(5)11)18(15,16)14-9-13-12-4-17-9/h2-4H,11H2,1H3,(H,13,14)
InChIKeyGSTKKKWTOXMGRA-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.88
Rot. Bonds3

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

3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 28529159) has the molecular formula C9H9ClN4O2S2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID28529159
Molecular FormulaC9H9ClN4O2S2
Molecular Weight304.78 g/mol
Exact Mass303.99
IUPAC Name3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2nncs2)cc1Cl
InChIInChI=1S/C9H9ClN4O2S2/c1-5-7(10)2-6(3-8(5)11)18(15,16)14-9-13-12-4-17-9/h2-4H,11H2,1H3,(H,13,14)
InChIKeyGSTKKKWTOXMGRA-UHFFFAOYSA-N
XLogP1.88
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.88
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 3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 28529159) is 3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2nncs2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is GSTKKKWTOXMGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S2/c1-5-7(10)2-6(3-8(5)11)18(15,16)14-9-13-12-4-17-9/h2-4H,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 304.78 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 28529159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).