2-amino-6-methyl-4-nitrobenzenesulfonamide

C7H9N3O4S — CID 142791442

IUPAC2-amino-6-methyl-4-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(N)c1S(N)(=O)=O
InChIInChI=1S/C7H9N3O4S/c1-4-2-5(10(11)12)3-6(8)7(4)15(9,13)14/h2-3H,8H2,1H3,(H2,9,13,14)
InChIKeyYIJIDFSPSYTUAS-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.13
Rot. Bonds2

About 2-amino-6-methyl-4-nitrobenzenesulfonamide

2-amino-6-methyl-4-nitrobenzenesulfonamide (PubChem CID 142791442) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-amino-6-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-4-nitrobenzenesulfonamide
PubChem CID142791442
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-amino-6-methyl-4-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(N)c1S(N)(=O)=O
InChIInChI=1S/C7H9N3O4S/c1-4-2-5(10(11)12)3-6(8)7(4)15(9,13)14/h2-3H,8H2,1H3,(H2,9,13,14)
InChIKeyYIJIDFSPSYTUAS-UHFFFAOYSA-N
XLogP0.13
TPSA129.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-nitrobenzenesulfonohydrazide
CID 70663598
2-fluoro-3-methyl-5-nitroaniline
CID 130935349
2-bromo-6-methyl-4-nitrobenzenesulfonyl chloride
CID 131469701
2-amino-4-chloro-6-methylbenzenesulfonamide
CID 142791443
2-methyl-5-nitroaniline sulfate
CID 20841862
2-amino-3-methyl-5-nitrobenzenesulfonic acid
CID 20545453
2-amino-4,6-dinitrobenzenesulfonic acid
CID 130181246
2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 62151022
2,6-dimethyl-4-nitrophenolate
CID 6993803
2-cyano-6-methyl-4-nitrobenzenesulfonyl chloride
CID 131531177
CID 88964811
CID 88964811
2-methyl-3,5-dinitrobenzenesulfonamide
CID 4554776

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-4-nitrobenzenesulfonamide (CID 142791442) is 2-amino-6-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-4-nitrobenzenesulfonamide is Cc1cc([N+](=O)[O-])cc(N)c1S(N)(=O)=O.
What is the InChIKey of 2-amino-6-methyl-4-nitrobenzenesulfonamide?
The InChIKey is YIJIDFSPSYTUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-4-2-5(10(11)12)3-6(8)7(4)15(9,13)14/h2-3H,8H2,1H3,(H2,9,13,14).
What are the key properties of 2-amino-6-methyl-4-nitrobenzenesulfonamide?
2-amino-6-methyl-4-nitrobenzenesulfonamide has a molecular weight of 231.23 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 142791442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).