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

C14H16FNO5S2 — CID 18574145

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(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
InChIKeyDSHTZAQHKZWMMK-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.87
Rot. Bonds7

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

N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide (PubChem CID 18574145) has the molecular formula C14H16FNO5S2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
PubChem CID18574145
Molecular FormulaC14H16FNO5S2
Molecular Weight361.42 g/mol
Exact Mass361.05
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(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
InChIKeyDSHTZAQHKZWMMK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide (CID 18574145) is N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide is CCS(=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]ethanesulfonamide?
The InChIKey is DSHTZAQHKZWMMK-UHFFFAOYSA-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.
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide?
N-[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-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 18574145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).