4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide

C10H11N3O4S — CID 10355717

IUPAC4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cc(CO)on2)cc1
InChIInChI=1S/C10H11N3O4S/c11-7-1-3-9(4-2-7)18(15,16)13-10-5-8(6-14)17-12-10/h1-5,14H,6,11H2,(H,12,13)
InChIKeyCECJOLRUXWTJHV-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.55
Rot. Bonds4

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

4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide (PubChem CID 10355717) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide
PubChem CID10355717
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cc(CO)on2)cc1
InChIInChI=1S/C10H11N3O4S/c11-7-1-3-9(4-2-7)18(15,16)13-10-5-8(6-14)17-12-10/h1-5,14H,6,11H2,(H,12,13)
InChIKeyCECJOLRUXWTJHV-UHFFFAOYSA-N
XLogP0.55
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Sulfamethoxazole
CID 5329
Sulfamethoxazole hydroxylamine
CID 114821
4-Nitrososulfamethoxazole
CID 125483
4-Nitro-sulfamethoxazole
CID 717516
Benzenesulfonamide, 4-amino-N-3-isoxazolyl-
CID 200818
N4-Acetyl-5-OH-sulfamethoxazole
CID 10335611
Sulfamethoxazole Sodium
CID 15899900
4-amino-2,3,5,6-tetradeuterio-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 45040440
Sulfamethoxazole-(phenyl-13C6)
CID 71312389
Carboxy-sulfamethoxazole
CID 168720536
N-(5-Methylisoxazol-3-yl)-4-(methylsulfonamido)benzenesulfonamide
CID 2446459
(4-Amino-5-methylisoxazoyl) benzenesulfonamide silver
CID 6093739

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide (CID 10355717) is 4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cc(CO)on2)cc1.
What is the InChIKey of 4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The InChIKey is CECJOLRUXWTJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c11-7-1-3-9(4-2-7)18(15,16)13-10-5-8(6-14)17-12-10/h1-5,14H,6,11H2,(H,12,13).
What are the key properties of 4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide has a molecular weight of 269.28 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 10355717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).