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

C10H10ClN5O2S — CID 114386905

IUPAC3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nccnn2)cc(N)c1Cl
InChIInChI=1S/C10H10ClN5O2S/c1-6-4-7(5-8(12)9(6)11)19(17,18)16-10-13-2-3-14-15-10/h2-5H,12H2,1H3,(H,13,15,16)
InChIKeyATYGFBXVLYOSBP-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.22
Rot. Bonds3

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

3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114386905) has the molecular formula C10H10ClN5O2S and a molecular weight of 299.74 g/mol. Its IUPAC name is 3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114386905
Molecular FormulaC10H10ClN5O2S
Molecular Weight299.74 g/mol
Exact Mass299.02
IUPAC Name3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nccnn2)cc(N)c1Cl
InChIInChI=1S/C10H10ClN5O2S/c1-6-4-7(5-8(12)9(6)11)19(17,18)16-10-13-2-3-14-15-10/h2-5H,12H2,1H3,(H,13,15,16)
InChIKeyATYGFBXVLYOSBP-UHFFFAOYSA-N
XLogP1.22
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methoxy-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114626331
5-chloro-6-hydrazinyl-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114388272
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106082078
3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386974
2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386899
3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide
CID 104617199
3-amino-4-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylbenzenesulfonamide
CID 107864427
2-chloro-3-methyl-5-methylsulfonylaniline
CID 45156896
3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83012745
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
CID 65491849
5-bromo-4-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 114389150
3-amino-4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylbenzenesulfonamide
CID 106368919

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 114386905) is 3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2nccnn2)cc(N)c1Cl.
What is the InChIKey of 3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is ATYGFBXVLYOSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2S/c1-6-4-7(5-8(12)9(6)11)19(17,18)16-10-13-2-3-14-15-10/h2-5H,12H2,1H3,(H,13,15,16).
What are the key properties of 3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 299.74 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114386905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).