4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

C14H15N3O3S — CID 65480976

IUPAC4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(C#CCN)cc2)c1C
InChIInChI=1S/C14H15N3O3S/c1-10-11(2)16-20-14(10)17-21(18,19)13-7-5-12(6-8-13)4-3-9-15/h5-8,17H,9,15H2,1-2H3
InChIKeyNGYIIBSSCSLVRA-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.40
Rot. Bonds3

About 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 65480976) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID65480976
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(C#CCN)cc2)c1C
InChIInChI=1S/C14H15N3O3S/c1-10-11(2)16-20-14(10)17-21(18,19)13-7-5-12(6-8-13)4-3-9-15/h5-8,17H,9,15H2,1-2H3
InChIKeyNGYIIBSSCSLVRA-UHFFFAOYSA-N
XLogP1.40
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide with MolForge

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
CID 65481170
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
4-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844825
4-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 65488716
4-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 14973488
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 3765964
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzenesulfonamide
CID 65487179
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 18617399
bis(4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide);2-(2-hydroxyethylamino)ethanol
CID 66830855
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
4-(diethylphosphorylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 134087514

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 65480976) is 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccc(C#CCN)cc2)c1C.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is NGYIIBSSCSLVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-11(2)16-20-14(10)17-21(18,19)13-7-5-12(6-8-13)4-3-9-15/h5-8,17H,9,15H2,1-2H3.
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 65480976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).