N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide

C17H19FN2O4S2 — CID 112505838

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)ccc1F
InChIInChI=1S/C17H19FN2O4S2/c1-12-4-5-14(11-17(12)20-8-3-9-25(20,21)22)19-26(23,24)15-6-7-16(18)13(2)10-15/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyOCWICOVCKQJQNZ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.78
Rot. Bonds4

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 112505838) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID112505838
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)ccc1F
InChIInChI=1S/C17H19FN2O4S2/c1-12-4-5-14(11-17(12)20-8-3-9-25(20,21)22)19-26(23,24)15-6-7-16(18)13(2)10-15/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyOCWICOVCKQJQNZ-UHFFFAOYSA-N
XLogP2.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-4-fluorobenzenesulfonamide
CID 112505593
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-sulfonamide
CID 112505840
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 112505931
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 112505484
4-fluoro-3-methyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 100696551
4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
CID 112506309
4-(1,1-dioxothiazinan-2-yl)-2,5-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 39776373
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide
CID 110303603
4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 43955529
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxybenzenesulfonamide
CID 7483109
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide
CID 7483111

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide (CID 112505838) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)ccc1F.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is OCWICOVCKQJQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c1-12-4-5-14(11-17(12)20-8-3-9-25(20,21)22)19-26(23,24)15-6-7-16(18)13(2)10-15/h4-7,10-11,19H,3,8-9H2,1-2H3.
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 112505838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).