N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide

C15H13ClN2O4S2 — CID 113082311

IUPACN-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2C(=O)c3ccc(Cl)cc3C2=O)s1
InChIInChI=1S/C15H13ClN2O4S2/c1-9-2-5-13(23-9)24(21,22)17-6-7-18-14(19)11-4-3-10(16)8-12(11)15(18)20/h2-5,8,17H,6-7H2,1H3
InChIKeyBAGHJGKCCYNSBA-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 113082311) has the molecular formula C15H13ClN2O4S2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID113082311
Molecular FormulaC15H13ClN2O4S2
Molecular Weight384.87 g/mol
Exact Mass384.00
IUPAC NameN-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2C(=O)c3ccc(Cl)cc3C2=O)s1
InChIInChI=1S/C15H13ClN2O4S2/c1-9-2-5-13(23-9)24(21,22)17-6-7-18-14(19)11-4-3-10(16)8-12(11)15(18)20/h2-5,8,17H,6-7H2,1H3
InChIKeyBAGHJGKCCYNSBA-UHFFFAOYSA-N
XLogP2.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-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-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide
CID 113082296
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 42268041
5-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730099
5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide
CID 113082213
5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110722837
5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione
CID 13321636
N-(2,5-dichlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 39793706
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082271
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide
CID 61132568

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide (CID 113082311) is N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCN2C(=O)c3ccc(Cl)cc3C2=O)s1.
What is the InChIKey of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is BAGHJGKCCYNSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S2/c1-9-2-5-13(23-9)24(21,22)17-6-7-18-14(19)11-4-3-10(16)8-12(11)15(18)20/h2-5,8,17H,6-7H2,1H3.
What are the key properties of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 384.87 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113082311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).