2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide

C10H11ClN2O2S — CID 114414759

IUPAC2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
SMILESC#CC(C)NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H11ClN2O2S/c1-3-7(2)13-16(14,15)10-5-4-8(11)6-9(10)12/h1,4-7,13H,12H2,2H3
InChIKeyGFZKXEAANFOQDN-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.22
Rot. Bonds3

About 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide

2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide (PubChem CID 114414759) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
PubChem CID114414759
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
SMILESC#CC(C)NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H11ClN2O2S/c1-3-7(2)13-16(14,15)10-5-4-8(11)6-9(10)12/h1,4-7,13H,12H2,2H3
InChIKeyGFZKXEAANFOQDN-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide 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

N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343791
2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 28549919
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471974
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213
5-amino-N-but-3-yn-2-yl-2-methylbenzenesulfonamide
CID 114414706
3-amino-N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 114414720
N-but-3-yn-2-yl-2-chloro-4-cyanobenzenesulfonamide
CID 114419165
N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
CID 114419126
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide?
The IUPAC name of 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide (CID 114414759) is 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide is C#CC(C)NS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide?
The InChIKey is GFZKXEAANFOQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-3-7(2)13-16(14,15)10-5-4-8(11)6-9(10)12/h1,4-7,13H,12H2,2H3.
What are the key properties of 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide?
2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide has a molecular weight of 258.73 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide is sourced from PubChem (CID 114414759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).