2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide

C12H15ClN2O2S — CID 113476917

IUPAC2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide
SMILESC#CCC(CC)NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H15ClN2O2S/c1-3-5-10(4-2)15-18(16,17)12-8-9(13)6-7-11(12)14/h1,6-8,10,15H,4-5,14H2,2H3
InChIKeyCYNLPZQJDPVVIX-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.00
Rot. Bonds5

About 2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide

2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide (PubChem CID 113476917) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide
PubChem CID113476917
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide
SMILESC#CCC(CC)NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H15ClN2O2S/c1-3-5-10(4-2)15-18(16,17)12-8-9(13)6-7-11(12)14/h1,6-8,10,15H,4-5,14H2,2H3
InChIKeyCYNLPZQJDPVVIX-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.00
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-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide 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-2-chloro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 113476920
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
2-fluoro-1-N-hex-5-yn-3-ylbenzene-1,4-disulfonamide
CID 115650539
N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide
CID 115650518
2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 113495486
2-bromo-N-hex-5-yn-3-yl-4-methylbenzenesulfonamide
CID 115650520
2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479392
2,4,6-trifluoro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650481
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
2-amino-5-chloro-N-hex-5-ynylbenzenesulfonamide
CID 106208461
2-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106348107

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide (CID 113476917) is 2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide is C#CCC(CC)NS(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide?
The InChIKey is CYNLPZQJDPVVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-3-5-10(4-2)15-18(16,17)12-8-9(13)6-7-11(12)14/h1,6-8,10,15H,4-5,14H2,2H3.
What are the key properties of 2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide?
2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide has a molecular weight of 286.78 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide is sourced from PubChem (CID 113476917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).