2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

C11H15N5O3S — CID 64511759

IUPAC2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ncn[nH]2)c(N)c1
InChIInChI=1S/C11H15N5O3S/c1-16(6-11-13-7-14-15-11)20(17,18)10-4-3-8(19-2)5-9(10)12/h3-5,7H,6,12H2,1-2H3,(H,13,14,15)
InChIKeySNPUZVKCVZZDMD-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.22
Rot. Bonds5

About 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (PubChem CID 64511759) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
PubChem CID64511759
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ncn[nH]2)c(N)c1
InChIInChI=1S/C11H15N5O3S/c1-16(6-11-13-7-14-15-11)20(17,18)10-4-3-8(19-2)5-9(10)12/h3-5,7H,6,12H2,1-2H3,(H,13,14,15)
InChIKeySNPUZVKCVZZDMD-UHFFFAOYSA-N
XLogP0.22
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-benzyl-4-methoxy-N-methylbenzenesulfonamide
CID 29278456
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517173
2-fluoro-N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 99801961
2-amino-4-methoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61113951
4-amino-3-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 82844189
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103306233
3-amino-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512148
4-cyano-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106997278
2-amino-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61125404
2-amino-6-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512147
2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517471
2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510726

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (CID 64511759) is 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ncn[nH]2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is SNPUZVKCVZZDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-16(6-11-13-7-14-15-11)20(17,18)10-4-3-8(19-2)5-9(10)12/h3-5,7H,6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 64511759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).