5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide

C10H10N4O5S — CID 62902360

IUPAC5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccon2)c1
InChIInChI=1S/C10H10N4O5S/c1-11-7-2-3-8(14(15)16)9(6-7)20(17,18)13-10-4-5-19-12-10/h2-6,11H,1H3,(H,12,13)
InChIKeyKKJUBEVLOZLDMA-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.43
Rot. Bonds5

About 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide

5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 62902360) has the molecular formula C10H10N4O5S and a molecular weight of 298.28 g/mol. Its IUPAC name is 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID62902360
Molecular FormulaC10H10N4O5S
Molecular Weight298.28 g/mol
Exact Mass298.04
IUPAC Name5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccon2)c1
InChIInChI=1S/C10H10N4O5S/c1-11-7-2-3-8(14(15)16)9(6-7)20(17,18)13-10-4-5-19-12-10/h2-6,11H,1H3,(H,12,13)
InChIKeyKKJUBEVLOZLDMA-UHFFFAOYSA-N
XLogP1.43
TPSA127.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)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

5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904139
5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 80746819
5-(methylamino)-2-nitro-N-pentylbenzenesulfonamide
CID 62162640
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62904312
5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 60989473
N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline
CID 62149643
N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
CID 694816
5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787296
N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-4-nitroaniline
CID 62148626
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methyl-4-nitroaniline
CID 79179408
N-butan-2-yl-N-ethyl-5-(methylamino)-2-nitrobenzenesulfonamide
CID 62144304

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 62902360) is 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide is CNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccon2)c1.
What is the InChIKey of 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is KKJUBEVLOZLDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5S/c1-11-7-2-3-8(14(15)16)9(6-7)20(17,18)13-10-4-5-19-12-10/h2-6,11H,1H3,(H,12,13).
What are the key properties of 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 298.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 62902360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).