N-(2-phenylethynyl)propane-2-sulfonamide

C11H13NO2S — CID 90303705

IUPACN-(2-phenylethynyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC#Cc1ccccc1
InChIInChI=1S/C11H13NO2S/c1-10(2)15(13,14)12-9-8-11-6-4-3-5-7-11/h3-7,10,12H,1-2H3
InChIKeyFLOZZFNYKKMRAS-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.32
Rot. Bonds2

About N-(2-phenylethynyl)propane-2-sulfonamide

N-(2-phenylethynyl)propane-2-sulfonamide (PubChem CID 90303705) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(2-phenylethynyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylethynyl)propane-2-sulfonamide
PubChem CID90303705
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC NameN-(2-phenylethynyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC#Cc1ccccc1
InChIInChI=1S/C11H13NO2S/c1-10(2)15(13,14)12-9-8-11-6-4-3-5-7-11/h3-7,10,12H,1-2H3
InChIKeyFLOZZFNYKKMRAS-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-phenylethynylbenzene;sulfur dioxide
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CID 161111354
4-methyl-1-phenylhex-1-yn-3-one
CID 130137135
1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
CID 101346242
N,N-diethyl-4-phenylbut-3-yn-2-amine
CID 3146070
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4-phenylbut-3-yn-2-amine;hydrochloride
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CID 174927104

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethynyl)propane-2-sulfonamide?
The IUPAC name of N-(2-phenylethynyl)propane-2-sulfonamide (CID 90303705) is N-(2-phenylethynyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-phenylethynyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-phenylethynyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC#Cc1ccccc1.
What is the InChIKey of N-(2-phenylethynyl)propane-2-sulfonamide?
The InChIKey is FLOZZFNYKKMRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-10(2)15(13,14)12-9-8-11-6-4-3-5-7-11/h3-7,10,12H,1-2H3.
What are the key properties of N-(2-phenylethynyl)propane-2-sulfonamide?
N-(2-phenylethynyl)propane-2-sulfonamide has a molecular weight of 223.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethynyl)propane-2-sulfonamide is sourced from PubChem (CID 90303705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).