5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide

C13H11NO2S2 — CID 170206165

IUPAC5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide
SMILESC#CCNS(=O)(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C13H11NO2S2/c1-2-10-14-18(15,16)13-9-8-12(17-13)11-6-4-3-5-7-11/h1,3-9,14H,10H2
InChIKeyHGRCQSJLBOGEMD-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.33
Rot. Bonds4

About 5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide

5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide (PubChem CID 170206165) has the molecular formula C13H11NO2S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide
PubChem CID170206165
Molecular FormulaC13H11NO2S2
Molecular Weight277.37 g/mol
Exact Mass277.02
IUPAC Name5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide
SMILESC#CCNS(=O)(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C13H11NO2S2/c1-2-10-14-18(15,16)13-9-8-12(17-13)11-6-4-3-5-7-11/h1,3-9,14H,10H2
InChIKeyHGRCQSJLBOGEMD-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.33
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

5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide
CID 53467494
N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine
CID 110631418
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
(2S)-3-(4-ethynylphenyl)-N-hydroxy-2-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide
CID 169148420
N-prop-2-ynyl-1-benzothiophene-3-sulfonamide
CID 134943057
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide
CID 11639028
5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110322583
2-bromo-6-chloro-N-prop-2-ynylbenzenesulfonamide
CID 130506038
5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 171907672
5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide
CID 159287719
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide?
The IUPAC name of 5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide (CID 170206165) is 5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide.
What is the SMILES notation for 5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide?
The canonical SMILES for 5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide is C#CCNS(=O)(=O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of 5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide?
The InChIKey is HGRCQSJLBOGEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S2/c1-2-10-14-18(15,16)13-9-8-12(17-13)11-6-4-3-5-7-11/h1,3-9,14H,10H2.
What are the key properties of 5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide?
5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide has a molecular weight of 277.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide is sourced from PubChem (CID 170206165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).