N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide

C18H15ClFNO5S2 — CID 41193089

IUPACN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H15ClFNO5S2/c19-13-3-7-15(8-4-13)27(22,23)18(17-2-1-11-26-17)12-21-28(24,25)16-9-5-14(20)6-10-16/h1-11,18,21H,12H2/t18-/m0/s1
InChIKeyUQQNMSRLMSJVRW-SFHVURJKSA-N
MW443.91 g/mol
LogP3.57
Rot. Bonds7

About N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide

N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 41193089) has the molecular formula C18H15ClFNO5S2 and a molecular weight of 443.91 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID41193089
Molecular FormulaC18H15ClFNO5S2
Molecular Weight443.91 g/mol
Exact Mass443.01
IUPAC NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H15ClFNO5S2/c19-13-3-7-15(8-4-13)27(22,23)18(17-2-1-11-26-17)12-21-28(24,25)16-9-5-14(20)6-10-16/h1-11,18,21H,12H2/t18-/m0/s1
InChIKeyUQQNMSRLMSJVRW-SFHVURJKSA-N
XLogP3.57
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 41193186
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193116
N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide
CID 18574141
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
CID 7268411
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 41193078
N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 16829630
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555078
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
CID 16829653
4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40775182
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium
CID 9161700
3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268254
3-chloro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268253

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide (CID 41193089) is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is UQQNMSRLMSJVRW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15ClFNO5S2/c19-13-3-7-15(8-4-13)27(22,23)18(17-2-1-11-26-17)12-21-28(24,25)16-9-5-14(20)6-10-16/h1-11,18,21H,12H2/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide?
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 443.91 g/mol, XLogP of 3.57, 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-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 41193089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).