N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide

C15H14ClFN2O4S2 — CID 7483111

IUPACN-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccccc1F
InChIInChI=1S/C15H14ClFN2O4S2/c16-12-7-6-11(10-14(12)19-8-3-9-24(19,20)21)18-25(22,23)15-5-2-1-4-13(15)17/h1-2,4-7,10,18H,3,8-9H2
InChIKeyUAHLUSMHHZWIFE-UHFFFAOYSA-N
MW404.87 g/mol
LogP2.82
Rot. Bonds4

About N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide

N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide (PubChem CID 7483111) has the molecular formula C15H14ClFN2O4S2 and a molecular weight of 404.87 g/mol. Its IUPAC name is N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide
PubChem CID7483111
Molecular FormulaC15H14ClFN2O4S2
Molecular Weight404.87 g/mol
Exact Mass404.01
IUPAC NameN-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccccc1F
InChIInChI=1S/C15H14ClFN2O4S2/c16-12-7-6-11(10-14(12)19-8-3-9-24(19,20)21)18-25(22,23)15-5-2-1-4-13(15)17/h1-2,4-7,10,18H,3,8-9H2
InChIKeyUAHLUSMHHZWIFE-UHFFFAOYSA-N
XLogP2.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 43955529
4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline
CID 110621319
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 43955540
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxybenzenesulfonamide
CID 7483109
2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide
CID 7483310
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112505838
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
2-(2-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 71683758
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-4-fluorobenzenesulfonamide
CID 112505593
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylbenzamide
CID 7638884
2-(2-fluorophenyl)thiazinane 1,1-dioxide
CID 82081518
2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517968

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide (CID 7483111) is N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccccc1F.
What is the InChIKey of N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is UAHLUSMHHZWIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4S2/c16-12-7-6-11(10-14(12)19-8-3-9-24(19,20)21)18-25(22,23)15-5-2-1-4-13(15)17/h1-2,4-7,10,18H,3,8-9H2.
What are the key properties of N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide?
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 404.87 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 7483111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).