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

C17H19FN2O5S2 — CID 7482750

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H19FN2O5S2/c1-12-10-13(18)4-7-17(12)27(23,24)19-15-6-5-14(11-16(15)25-2)20-8-3-9-26(20,21)22/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyMLRWOTNFMTYNFQ-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.48
Rot. Bonds5

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

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 7482750) has the molecular formula C17H19FN2O5S2 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID7482750
Molecular FormulaC17H19FN2O5S2
Molecular Weight414.48 g/mol
Exact Mass414.07
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H19FN2O5S2/c1-12-10-13(18)4-7-17(12)27(23,24)19-15-6-5-14(11-16(15)25-2)20-8-3-9-26(20,21)22/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyMLRWOTNFMTYNFQ-UHFFFAOYSA-N
XLogP2.48
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzenesulfonamide
CID 7483084
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 7483062
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-5-nitrobenzenesulfonamide
CID 43955516
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]acetamide
CID 7627611
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethoxybenzenesulfonamide
CID 20962424
ethyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627634
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 7482685
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 100691399
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
CID 7627594
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propane-2-sulfonamide
CID 7635616
2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide
CID 170557126

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide (CID 7482750) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide is COc1cc(N2CCCS2(=O)=O)ccc1NS(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is MLRWOTNFMTYNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S2/c1-12-10-13(18)4-7-17(12)27(23,24)19-15-6-5-14(11-16(15)25-2)20-8-3-9-26(20,21)22/h4-7,10-11,19H,3,8-9H2,1-2H3.
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 414.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 7482750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).