N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

C17H17ClN2O5S2 — CID 100730087

IUPACN-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2O5S2/c1-25-13(14-6-7-15(18)26-14)10-19-27(23,24)12-4-2-11(3-5-12)20-16(21)8-9-17(20)22/h2-7,13,19H,8-10H2,1H3/t13-/m0/s1
InChIKeyDBUGMLSFWOYSHT-ZDUSSCGKSA-N
MW428.92 g/mol
LogP2.72
Rot. Bonds7

About N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 100730087) has the molecular formula C17H17ClN2O5S2 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID100730087
Molecular FormulaC17H17ClN2O5S2
Molecular Weight428.92 g/mol
Exact Mass428.03
IUPAC NameN-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2O5S2/c1-25-13(14-6-7-15(18)26-14)10-19-27(23,24)12-4-2-11(3-5-12)20-16(21)8-9-17(20)22/h2-7,13,19H,8-10H2,1H3/t13-/m0/s1
InChIKeyDBUGMLSFWOYSHT-ZDUSSCGKSA-N
XLogP2.72
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-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

N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 100729967
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91631063
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
CID 121180263
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 100729524
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide
CID 91631065
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide
CID 91631055
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 91631035
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
CID 91631033
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100729356
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 71810410
4-(1,1-dioxothiazinan-2-yl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417542

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 100730087) is N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is CO[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is DBUGMLSFWOYSHT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17ClN2O5S2/c1-25-13(14-6-7-15(18)26-14)10-19-27(23,24)12-4-2-11(3-5-12)20-16(21)8-9-17(20)22/h2-7,13,19H,8-10H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 428.92 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 100730087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).