N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide

C18H15ClFNO4S3 — CID 16829653

IUPACN-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H15ClFNO4S3/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
InChIKeyCDXFDHMWUMMZDJ-UHFFFAOYSA-N
MW459.97 g/mol
LogP4.03
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide

N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide (PubChem CID 16829653) has the molecular formula C18H15ClFNO4S3 and a molecular weight of 459.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
PubChem CID16829653
Molecular FormulaC18H15ClFNO4S3
Molecular Weight459.97 g/mol
Exact Mass458.98
IUPAC NameN-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H15ClFNO4S3/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
InChIKeyCDXFDHMWUMMZDJ-UHFFFAOYSA-N
XLogP4.03
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 16829644
4-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193498
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193593
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 18574230
4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41193669
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41193748
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 41193089
[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079080
[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079056
4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 18574253
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 27546075

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide (CID 16829653) is N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCC(c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
The InChIKey is CDXFDHMWUMMZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO4S3/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.
What are the key properties of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide has a molecular weight of 459.97 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16829653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).