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

C13H14FNO5S2 — CID 18574141

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO5S2/c1-21(16,17)15-9-13(12-3-2-8-20-12)22(18,19)11-6-4-10(14)5-7-11/h2-8,13,15H,9H2,1H3
InChIKeyKRPZTDZYSUUIRD-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.48
Rot. Bonds6

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

N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide (PubChem CID 18574141) has the molecular formula C13H14FNO5S2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide
PubChem CID18574141
Molecular FormulaC13H14FNO5S2
Molecular Weight347.39 g/mol
Exact Mass347.03
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO5S2/c1-21(16,17)15-9-13(12-3-2-8-20-12)22(18,19)11-6-4-10(14)5-7-11/h2-8,13,15H,9H2,1H3
InChIKeyKRPZTDZYSUUIRD-UHFFFAOYSA-N
XLogP1.48
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
CID 7268411
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
CID 7268396
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
1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea
CID 110315018
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
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
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide (CID 18574141) is N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide?
The InChIKey is KRPZTDZYSUUIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5S2/c1-21(16,17)15-9-13(12-3-2-8-20-12)22(18,19)11-6-4-10(14)5-7-11/h2-8,13,15H,9H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide?
N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide has a molecular weight of 347.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 18574141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).