N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide

C15H15N3O6S3 — CID 56587289

IUPACN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)s1
InChIInChI=1S/C15H15N3O6S3/c1-18(2)27(23,24)13-6-3-9(25-13)8-16-26(21,22)10-4-5-11-12(7-10)15(20)17-14(11)19/h3-7,16H,8H2,1-2H3,(H,17,19,20)
InChIKeyKPXKXTSFDACFDO-UHFFFAOYSA-N
MW429.50 g/mol
LogP0.36
Rot. Bonds6

About N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide

N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 56587289) has the molecular formula C15H15N3O6S3 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide
PubChem CID56587289
Molecular FormulaC15H15N3O6S3
Molecular Weight429.50 g/mol
Exact Mass429.01
IUPAC NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)s1
InChIInChI=1S/C15H15N3O6S3/c1-18(2)27(23,24)13-6-3-9(25-13)8-16-26(21,22)10-4-5-11-12(7-10)15(20)17-14(11)19/h3-7,16H,8H2,1-2H3,(H,17,19,20)
InChIKeyKPXKXTSFDACFDO-UHFFFAOYSA-N
XLogP0.36
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-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

5-[[(4-fluorophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581110
5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581157
5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581138
N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581151
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133
N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581162
N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820371
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]butanoic acid
CID 100820374
5-bromo-2-chloro-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]pyridine-3-sulfonamide
CID 55904903
5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581155
1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide
CID 56586873

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide (CID 56587289) is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)s1.
What is the InChIKey of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is KPXKXTSFDACFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S3/c1-18(2)27(23,24)13-6-3-9(25-13)8-16-26(21,22)10-4-5-11-12(7-10)15(20)17-14(11)19/h3-7,16H,8H2,1-2H3,(H,17,19,20).
What are the key properties of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide?
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 429.50 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 56587289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).