N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide

C19H14FNO2S — CID 90552625

IUPACN-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC#Cc1ccccc1F)c1ccc2ccccc2c1
InChIInChI=1S/C19H14FNO2S/c20-19-10-4-3-7-16(19)9-5-13-21-24(22,23)18-12-11-15-6-1-2-8-17(15)14-18/h1-4,6-8,10-12,14,21H,13H2
InChIKeyLZDHYDMVJQRIKI-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.31
Rot. Bonds3

About N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide

N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide (PubChem CID 90552625) has the molecular formula C19H14FNO2S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide
PubChem CID90552625
Molecular FormulaC19H14FNO2S
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC NameN-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC#Cc1ccccc1F)c1ccc2ccccc2c1
InChIInChI=1S/C19H14FNO2S/c20-19-10-4-3-7-16(19)9-5-13-21-24(22,23)18-12-11-15-6-1-2-8-17(15)14-18/h1-4,6-8,10-12,14,21H,13H2
InChIKeyLZDHYDMVJQRIKI-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylsulfamoylamino)prop-1-ynyl]-2-fluorobenzene
CID 90552626
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
3,5-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzenesulfonamide
CID 90553263
3,5-difluoro-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553921
2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
CID 90553735
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3,4-dimethylbenzenesulfonamide
CID 90554465
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
3-[2-(3-naphthalen-2-ylsulfonylprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 10338578
2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium
CID 2459418
methyl 3-[3-(2-fluorophenyl)prop-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90552674

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide (CID 90552625) is N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide is O=S(=O)(NCC#Cc1ccccc1F)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide?
The InChIKey is LZDHYDMVJQRIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2S/c20-19-10-4-3-7-16(19)9-5-13-21-24(22,23)18-12-11-15-6-1-2-8-17(15)14-18/h1-4,6-8,10-12,14,21H,13H2.
What are the key properties of N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide?
N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide has a molecular weight of 339.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 90552625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).