N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide

C14H16FNO5S2 — CID 7268411

IUPACN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO5S2/c1-2-22(17,18)16-10-14(13-4-3-9-21-13)23(19,20)12-7-5-11(15)6-8-12/h3-9,14,16H,2,10H2,1H3/t14-/m0/s1
InChIKeyDSHTZAQHKZWMMK-AWEZNQCLSA-N
MW361.42 g/mol
LogP1.87
Rot. Bonds7

About N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide

N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide (PubChem CID 7268411) has the molecular formula C14H16FNO5S2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
PubChem CID7268411
Molecular FormulaC14H16FNO5S2
Molecular Weight361.42 g/mol
Exact Mass361.05
IUPAC NameN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO5S2/c1-2-22(17,18)16-10-14(13-4-3-9-21-13)23(19,20)12-7-5-11(15)6-8-12/h3-9,14,16H,2,10H2,1H3/t14-/m0/s1
InChIKeyDSHTZAQHKZWMMK-AWEZNQCLSA-N
XLogP1.87
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide
CID 18574141
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 41193089
4-fluoro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 41193186
N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide
CID 9161431
1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea
CID 110315018
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
CID 7268396
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
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555084
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 7268216
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193116
phenyl N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]carbamate
CID 7268237

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide (CID 7268411) is N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide?
The InChIKey is DSHTZAQHKZWMMK-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16FNO5S2/c1-2-22(17,18)16-10-14(13-4-3-9-21-13)23(19,20)12-7-5-11(15)6-8-12/h3-9,14,16H,2,10H2,1H3/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide?
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 7268411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).