N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C20H16FNO3S — CID 167942455

IUPACN-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESC#Cc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C20H16FNO3S/c1-2-16-7-5-8-17(13-16)14-22(15-18-9-6-12-25-18)26(23,24)20-11-4-3-10-19(20)21/h1,3-13H,14-15H2
InChIKeyNDIWSLSXSLJNCB-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.79
Rot. Bonds6

About N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 167942455) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID167942455
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC NameN-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESC#Cc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C20H16FNO3S/c1-2-16-7-5-8-17(13-16)14-22(15-18-9-6-12-25-18)26(23,24)20-11-4-3-10-19(20)21/h1,3-13H,14-15H2
InChIKeyNDIWSLSXSLJNCB-UHFFFAOYSA-N
XLogP3.79
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 167880591
2-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084730
N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2428178
2-[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylacetamide
CID 32888554
N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 39984976
N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 2563703
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 25336701
2,6-difluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906808
2-chloro-N-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 30232442
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668532

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 167942455) is N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is C#Cc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is NDIWSLSXSLJNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c1-2-16-7-5-8-17(13-16)14-22(15-18-9-6-12-25-18)26(23,24)20-11-4-3-10-19(20)21/h1,3-13H,14-15H2.
What are the key properties of N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 369.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 167942455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).