N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C17H17FN2O5S2 — CID 21005195

IUPACN-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCc1cc(N2C(=O)C(C)CS2(=O)=O)ccc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2O5S2/c1-11-8-15(20-17(21)12(2)10-26(20,22)23)6-7-16(11)27(24,25)19-14-5-3-4-13(18)9-14/h3-9,12,19H,10H2,1-2H3
InChIKeyUQQWPOUBXGIZSM-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.25
Rot. Bonds4

About N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 21005195) has the molecular formula C17H17FN2O5S2 and a molecular weight of 412.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID21005195
Molecular FormulaC17H17FN2O5S2
Molecular Weight412.46 g/mol
Exact Mass412.06
IUPAC NameN-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCc1cc(N2C(=O)C(C)CS2(=O)=O)ccc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2O5S2/c1-11-8-15(20-17(21)12(2)10-26(20,22)23)6-7-16(11)27(24,25)19-14-5-3-4-13(18)9-14/h3-9,12,19H,10H2,1-2H3
InChIKeyUQQWPOUBXGIZSM-UHFFFAOYSA-N
XLogP2.25
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methoxy-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 110421080
N-(4-bromo-2-methylphenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005199
N-[2-(4-fluorophenyl)ethyl]-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005105
N-(3-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349780
N-[3-[[2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 21005877
N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005889
2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 21005844
N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004845
N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005132
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004843
N-(2-ethoxyphenyl)-2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005488
4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 42227729

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 21005195) is N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is Cc1cc(N2C(=O)C(C)CS2(=O)=O)ccc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is UQQWPOUBXGIZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S2/c1-11-8-15(20-17(21)12(2)10-26(20,22)23)6-7-16(11)27(24,25)19-14-5-3-4-13(18)9-14/h3-9,12,19H,10H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 412.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 21005195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).