2-cyano-N-prop-2-ynylbenzenesulfonamide

C10H8N2O2S — CID 9356113

IUPAC2-cyano-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C10H8N2O2S/c1-2-7-12-15(13,14)10-6-4-3-5-9(10)8-11/h1,3-6,12H,7H2
InChIKeyYBERMWAXWUSXBG-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.47
Rot. Bonds3

About 2-cyano-N-prop-2-ynylbenzenesulfonamide

2-cyano-N-prop-2-ynylbenzenesulfonamide (PubChem CID 9356113) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-cyano-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-prop-2-ynylbenzenesulfonamide
PubChem CID9356113
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-cyano-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C10H8N2O2S/c1-2-7-12-15(13,14)10-6-4-3-5-9(10)8-11/h1,3-6,12H,7H2
InChIKeyYBERMWAXWUSXBG-UHFFFAOYSA-N
XLogP0.47
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113320190
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113010
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103833642
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057216

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-prop-2-ynylbenzenesulfonamide (CID 9356113) is 2-cyano-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-prop-2-ynylbenzenesulfonamide is C#CCNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is YBERMWAXWUSXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-2-7-12-15(13,14)10-6-4-3-5-9(10)8-11/h1,3-6,12H,7H2.
What are the key properties of 2-cyano-N-prop-2-ynylbenzenesulfonamide?
2-cyano-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 220.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 9356113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).