N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide

C18H14N4O4S2 — CID 56582602

IUPACN-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESCc1csc(Nc2cccc(NS(=O)(=O)c3ccc4c(c3)C(=O)NC4=O)c2)n1
InChIInChI=1S/C18H14N4O4S2/c1-10-9-27-18(19-10)20-11-3-2-4-12(7-11)22-28(25,26)13-5-6-14-15(8-13)17(24)21-16(14)23/h2-9,22H,1H3,(H,19,20)(H,21,23,24)
InChIKeyOFFRDLXYKAPTQS-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.88
Rot. Bonds5

About N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide

N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 56582602) has the molecular formula C18H14N4O4S2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide
PubChem CID56582602
Molecular FormulaC18H14N4O4S2
Molecular Weight414.47 g/mol
Exact Mass414.05
IUPAC NameN-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESCc1csc(Nc2cccc(NS(=O)(=O)c3ccc4c(c3)C(=O)NC4=O)c2)n1
InChIInChI=1S/C18H14N4O4S2/c1-10-9-27-18(19-10)20-11-3-2-4-12(7-11)22-28(25,26)13-5-6-14-15(8-13)17(24)21-16(14)23/h2-9,22H,1H3,(H,19,20)(H,21,23,24)
InChIKeyOFFRDLXYKAPTQS-UHFFFAOYSA-N
XLogP2.88
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide 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

N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 47784079
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438
1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
CID 56560659
1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide
CID 98986189
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775
N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 56582632
3-[3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76907155
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
[4-(4-methyl-1,3-thiazol-2-yl)phenyl] 1,3-dioxoisoindole-5-sulfonate
CID 56587615
N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110760967

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide (CID 56582602) is N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide is Cc1csc(Nc2cccc(NS(=O)(=O)c3ccc4c(c3)C(=O)NC4=O)c2)n1.
What is the InChIKey of N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is OFFRDLXYKAPTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S2/c1-10-9-27-18(19-10)20-11-3-2-4-12(7-11)22-28(25,26)13-5-6-14-15(8-13)17(24)21-16(14)23/h2-9,22H,1H3,(H,19,20)(H,21,23,24).
What are the key properties of N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide?
N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 414.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 56582602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).