4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide

C10H10N4O5S — CID 62914714

IUPAC4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cnoc2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O5S/c1-11-9-3-2-8(4-10(9)14(15)16)20(17,18)13-7-5-12-19-6-7/h2-6,11,13H,1H3
InChIKeyBVKIIBOWMVZBLM-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.43
Rot. Bonds5

About 4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide

4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 62914714) has the molecular formula C10H10N4O5S and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID62914714
Molecular FormulaC10H10N4O5S
Molecular Weight298.28 g/mol
Exact Mass298.04
IUPAC Name4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cnoc2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O5S/c1-11-9-3-2-8(4-10(9)14(15)16)20(17,18)13-7-5-12-19-6-7/h2-6,11,13H,1H3
InChIKeyBVKIIBOWMVZBLM-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'}

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Related Compounds

3-(ethylamino)-4-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 82846900
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide
CID 62150924
4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62913798
N-ethyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62150216
3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62399730
3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903638
4-(methylamino)-3-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148898
4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904139
N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 60630712
4-(methylamino)-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 63961223
4-(methylamino)-N-(4-methylpentyl)-3-nitrobenzenesulfonamide
CID 63002612
N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide
CID 62147495

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 62914714) is 4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2cnoc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is BVKIIBOWMVZBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5S/c1-11-9-3-2-8(4-10(9)14(15)16)20(17,18)13-7-5-12-19-6-7/h2-6,11,13H,1H3.
What are the key properties of 4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
4-(methylamino)-3-nitro-N-(1,2-oxazol-4-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 4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 62914714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).