N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide

C19H16FNO4S — CID 22584447

IUPACN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide
SMILESO=C(NCC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C19H16FNO4S/c20-16-10-5-4-9-15(16)19(22)21-13-18(17-11-6-12-25-17)26(23,24)14-7-2-1-3-8-14/h1-12,18H,13H2,(H,21,22)
InChIKeyHZPUXEHASTZDAV-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide

N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide (PubChem CID 22584447) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide
PubChem CID22584447
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC NameN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide
SMILESO=C(NCC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C19H16FNO4S/c20-16-10-5-4-9-15(16)19(22)21-13-18(17-11-6-12-25-17)26(23,24)14-7-2-1-3-8-14/h1-12,18H,13H2,(H,21,22)
InChIKeyHZPUXEHASTZDAV-UHFFFAOYSA-N
XLogP3.36
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 110315127
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 40775088
2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide
CID 20962895
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 110315139
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 20962937
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 26792820
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
phenyl N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]carbamate
CID 7268237
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 40773624
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide (CID 22584447) is N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide is O=C(NCC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccccc1F.
What is the InChIKey of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide?
The InChIKey is HZPUXEHASTZDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c20-16-10-5-4-9-15(16)19(22)21-13-18(17-11-6-12-25-17)26(23,24)14-7-2-1-3-8-14/h1-12,18H,13H2,(H,21,22).
What are the key properties of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide?
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide has a molecular weight of 373.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 22584447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).