N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide

C16H14FNO2S — CID 47808296

IUPACN-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(Cc1ccccc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14FNO2S/c1-2-12-18(13-14-8-6-7-11-16(14)17)21(19,20)15-9-4-3-5-10-15/h1,3-11H,12-13H2
InChIKeyCWSJYKOAUAPLMB-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.65
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide

N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide (PubChem CID 47808296) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide
PubChem CID47808296
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC NameN-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(Cc1ccccc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14FNO2S/c1-2-12-18(13-14-8-6-7-11-16(14)17)21(19,20)15-9-4-3-5-10-15/h1,3-11H,12-13H2
InChIKeyCWSJYKOAUAPLMB-UHFFFAOYSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
4-[(4-bromophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]butanoate
CID 3701532
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100794637
N-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46152460
N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 51258343
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
CID 100792620
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine
CID 13295163
1-N-[(2R)-butan-2-yl]-4-N-[(2-fluorophenyl)methyl]-4-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1176330

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide (CID 47808296) is N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide is C#CCN(Cc1ccccc1F)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is CWSJYKOAUAPLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-2-12-18(13-14-8-6-7-11-16(14)17)21(19,20)15-9-4-3-5-10-15/h1,3-11H,12-13H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide?
N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 303.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 47808296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).