N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide

C10H9Cl2NO2S — CID 114419120

IUPACN-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
SMILESC#CC(C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2NO2S/c1-3-7(2)13-16(14,15)10-6-8(11)4-5-9(10)12/h1,4-7,13H,2H3
InChIKeyGTYMBNMJCWFHSV-UHFFFAOYSA-N
MW278.16 g/mol
LogP2.29
Rot. Bonds3

About N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide

N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide (PubChem CID 114419120) has the molecular formula C10H9Cl2NO2S and a molecular weight of 278.16 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
PubChem CID114419120
Molecular FormulaC10H9Cl2NO2S
Molecular Weight278.16 g/mol
Exact Mass276.97
IUPAC NameN-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
SMILESC#CC(C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2NO2S/c1-3-7(2)13-16(14,15)10-6-8(11)4-5-9(10)12/h1,4-7,13H,2H3
InChIKeyGTYMBNMJCWFHSV-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
CID 114414759
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
N-but-3-yn-2-yl-2-chloro-4-cyanobenzenesulfonamide
CID 114419165
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
CID 4320202
2,5-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106356551
N-but-3-yn-2-yl-2-fluorobenzenesulfonamide
CID 114416427
2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 45147167

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide (CID 114419120) is N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide is C#CC(C)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide?
The InChIKey is GTYMBNMJCWFHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2S/c1-3-7(2)13-16(14,15)10-6-8(11)4-5-9(10)12/h1,4-7,13H,2H3.
What are the key properties of N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide?
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide has a molecular weight of 278.16 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 114419120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).