2-(methylamino)-4-nitrobenzenesulfonamide

C7H9N3O4S — CID 62144576

IUPAC2-(methylamino)-4-nitrobenzenesulfonamide
SMILESCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O
InChIInChI=1S/C7H9N3O4S/c1-9-6-4-5(10(11)12)2-3-7(6)15(8,13)14/h2-4,9H,1H3,(H2,8,13,14)
InChIKeyQNECLWDOFNUVTG-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.28
Rot. Bonds3

About 2-(methylamino)-4-nitrobenzenesulfonamide

2-(methylamino)-4-nitrobenzenesulfonamide (PubChem CID 62144576) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(methylamino)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-4-nitrobenzenesulfonamide
PubChem CID62144576
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-(methylamino)-4-nitrobenzenesulfonamide
SMILESCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O
InChIInChI=1S/C7H9N3O4S/c1-9-6-4-5(10(11)12)2-3-7(6)15(8,13)14/h2-4,9H,1H3,(H2,8,13,14)
InChIKeyQNECLWDOFNUVTG-UHFFFAOYSA-N
XLogP0.28
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-2-(pentylamino)benzenesulfonamide
CID 133462528
N,N-bis(cyanomethyl)-2-(methylamino)-4-nitrobenzenesulfonamide
CID 62162479
N-methyl-2-(methylamino)-N-(3-methylbutan-2-yl)-4-nitrobenzenesulfonamide
CID 62145933
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62150039
4-methyl-2-(methylamino)benzenesulfonamide
CID 20558501
2-(2-bromoethyl)-4-nitrobenzenesulfonamide
CID 150508996
N-methyl-2-(methylamino)-4-nitro-N-pentan-2-ylbenzenesulfonamide
CID 62147014
2-(methylamino)-N-(3-methylsulfanylpropyl)-4-nitrobenzenesulfonamide
CID 63962710
2-[(2,4-dichlorophenyl)methylamino]-4-nitrobenzenesulfonamide
CID 133462753
N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide
CID 62163370
N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide
CID 62147494

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-nitrobenzenesulfonamide?
The IUPAC name of 2-(methylamino)-4-nitrobenzenesulfonamide (CID 62144576) is 2-(methylamino)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-(methylamino)-4-nitrobenzenesulfonamide is CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O.
What is the InChIKey of 2-(methylamino)-4-nitrobenzenesulfonamide?
The InChIKey is QNECLWDOFNUVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-9-6-4-5(10(11)12)2-3-7(6)15(8,13)14/h2-4,9H,1H3,(H2,8,13,14).
What are the key properties of 2-(methylamino)-4-nitrobenzenesulfonamide?
2-(methylamino)-4-nitrobenzenesulfonamide has a molecular weight of 231.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62144576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).