5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide

C10H10F2N2O2S — CID 65022706

IUPAC5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide
SMILESC#CCCNS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C10H10F2N2O2S/c1-2-3-4-14-17(15,16)9-6-7(13)5-8(11)10(9)12/h1,5-6,14H,3-4,13H2
InChIKeyGQBSDNSLJRGIPP-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.85
Rot. Bonds4

About 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide

5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide (PubChem CID 65022706) has the molecular formula C10H10F2N2O2S and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide
PubChem CID65022706
Molecular FormulaC10H10F2N2O2S
Molecular Weight260.26 g/mol
Exact Mass260.04
IUPAC Name5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide
SMILESC#CCCNS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C10H10F2N2O2S/c1-2-3-4-14-17(15,16)9-6-7(13)5-8(11)10(9)12/h1,5-6,14H,3-4,13H2
InChIKeyGQBSDNSLJRGIPP-UHFFFAOYSA-N
XLogP0.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide 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-N-but-3-ynyl-3-fluoro-2-methylbenzenesulfonamide
CID 79896670
5-amino-N-[4-(dimethylamino)butyl]-2,3-difluorobenzenesulfonamide
CID 65020831
5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide
CID 65022454
5-amino-N-(2,3-dihydroxypropyl)-2,3-difluorobenzenesulfonamide
CID 66176945
5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide
CID 106035077
3-amino-2,4-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 114159860
2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355883
5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645551
5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide
CID 65310162
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
5-amino-2,3-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119438
2-fluoro-1-N-pent-4-ynylbenzene-1,4-disulfonamide
CID 113242742

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide (CID 65022706) is 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide is C#CCCNS(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide?
The InChIKey is GQBSDNSLJRGIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2S/c1-2-3-4-14-17(15,16)9-6-7(13)5-8(11)10(9)12/h1,5-6,14H,3-4,13H2.
What are the key properties of 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide?
5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide has a molecular weight of 260.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 65022706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).