2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide

C11H12N4O5S — CID 106376760

IUPAC2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)o1
InChIInChI=1S/C11H12N4O5S/c1-7-5-13-11(20-7)6-14-21(18,19)10-3-2-8(15(16)17)4-9(10)12/h2-5,14H,6,12H2,1H3
InChIKeyWKUTVOXSCNKGOA-UHFFFAOYSA-N
MW312.31 g/mol
LogP0.95
Rot. Bonds5

About 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide

2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide (PubChem CID 106376760) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide
PubChem CID106376760
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Name2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)o1
InChIInChI=1S/C11H12N4O5S/c1-7-5-13-11(20-7)6-14-21(18,19)10-3-2-8(15(16)17)4-9(10)12/h2-5,14H,6,12H2,1H3
InChIKeyWKUTVOXSCNKGOA-UHFFFAOYSA-N
XLogP0.95
TPSA141.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide 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-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
2-amino-5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369128
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 106376706
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923
2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 75475351
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine
CID 107143500
2-ethyl-5-nitro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86854834
2-amino-N-(cyclopentylmethyl)-4-nitrobenzenesulfonamide
CID 62143603
2-amino-4-nitro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63706934
3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline
CID 114181142
2-bromo-4-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106377879

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide (CID 106376760) is 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)o1.
What is the InChIKey of 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide?
The InChIKey is WKUTVOXSCNKGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-7-5-13-11(20-7)6-14-21(18,19)10-3-2-8(15(16)17)4-9(10)12/h2-5,14H,6,12H2,1H3.
What are the key properties of 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide?
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide has a molecular weight of 312.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 106376760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).