N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C15H22N2O6S2 — CID 22695092

IUPACN-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC
InChIInChI=1S/C15H22N2O6S2/c1-4-5-9-16(2)25(21,22)14-11-12(6-7-13(14)23-3)17-15(18)8-10-24(17,19)20/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyXQZBJRVZMLICSK-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.18
Rot. Bonds7

About N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 22695092) has the molecular formula C15H22N2O6S2 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID22695092
Molecular FormulaC15H22N2O6S2
Molecular Weight390.48 g/mol
Exact Mass390.09
IUPAC NameN-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC
InChIInChI=1S/C15H22N2O6S2/c1-4-5-9-16(2)25(21,22)14-11-12(6-7-13(14)23-3)17-15(18)8-10-24(17,19)20/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyXQZBJRVZMLICSK-UHFFFAOYSA-N
XLogP1.18
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-methoxy-3-[(2-methyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694381
N-[3-(dimethylamino)propyl]-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005642
N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide
CID 110757591
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004940
N-(2-chlorophenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996101
N-(4-bromo-2-methylphenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004930
N-tert-butyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005669
N-butyl-N-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007379
N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005132
5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 21005562
N-(2,4-dimethoxyphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996013
2-ethoxy-N-(4-fluorophenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005695

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 22695092) is N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is CCCCN(C)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC.
What is the InChIKey of N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is XQZBJRVZMLICSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S2/c1-4-5-9-16(2)25(21,22)14-11-12(6-7-13(14)23-3)17-15(18)8-10-24(17,19)20/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 22695092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).