3-ethynyl-N,N-dimethylbenzenesulfonamide

C10H11NO2S — CID 129210848

IUPAC3-ethynyl-N,N-dimethylbenzenesulfonamide
SMILESC#Cc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H11NO2S/c1-4-9-6-5-7-10(8-9)14(12,13)11(2)3/h1,5-8H,2-3H3
InChIKeyIUJSIQFVHKLKIU-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.92
Rot. Bonds2

About 3-ethynyl-N,N-dimethylbenzenesulfonamide

3-ethynyl-N,N-dimethylbenzenesulfonamide (PubChem CID 129210848) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-ethynyl-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-ethynyl-N,N-dimethylbenzenesulfonamide
PubChem CID129210848
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name3-ethynyl-N,N-dimethylbenzenesulfonamide
SMILESC#Cc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H11NO2S/c1-4-9-6-5-7-10(8-9)14(12,13)11(2)3/h1,5-8H,2-3H3
InChIKeyIUJSIQFVHKLKIU-UHFFFAOYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethynylbenzenesulfonyl chloride
CID 55279470
N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
3-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43429214
CID 71291795
CID 71291795
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide
CID 58265706
N,N-dimethyl-3-methylsulfanylbenzenesulfonamide
CID 149258348
N,N-dimethyl-3-nitrosobenzenesulfonamide
CID 146930978
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
CID 62685886

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-ethynyl-N,N-dimethylbenzenesulfonamide (CID 129210848) is 3-ethynyl-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-ethynyl-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-ethynyl-N,N-dimethylbenzenesulfonamide is C#Cc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-ethynyl-N,N-dimethylbenzenesulfonamide?
The InChIKey is IUJSIQFVHKLKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-4-9-6-5-7-10(8-9)14(12,13)11(2)3/h1,5-8H,2-3H3.
What are the key properties of 3-ethynyl-N,N-dimethylbenzenesulfonamide?
3-ethynyl-N,N-dimethylbenzenesulfonamide has a molecular weight of 209.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 129210848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).