4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide

C14H14ClN3O5S — CID 123022109

IUPAC4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C14H14ClN3O5S/c15-11-12(17-5-7-23-8-6-17)14(20)18(13(11)19)9-1-3-10(4-2-9)24(16,21)22/h1-4H,5-8H2,(H2,16,21,22)
InChIKeyJVGCHVMHAMXBOW-UHFFFAOYSA-N
MW371.80 g/mol
LogP-0.01
Rot. Bonds3

About 4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide

4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide (PubChem CID 123022109) has the molecular formula C14H14ClN3O5S and a molecular weight of 371.80 g/mol. Its IUPAC name is 4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide
PubChem CID123022109
Molecular FormulaC14H14ClN3O5S
Molecular Weight371.80 g/mol
Exact Mass371.03
IUPAC Name4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C14H14ClN3O5S/c15-11-12(17-5-7-23-8-6-17)14(20)18(13(11)19)9-1-3-10(4-2-9)24(16,21)22/h1-4H,5-8H2,(H2,16,21,22)
InChIKeyJVGCHVMHAMXBOW-UHFFFAOYSA-N
XLogP-0.01
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione
CID 11235967
N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide
CID 123022695
3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 779239
4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzenesulfonamide
CID 134114210
4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572823
3-chloro-1-(3,4-dichlorophenyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 16654676
3-(azepan-1-yl)-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 2910628
4-[3-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide
CID 110550263
4-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612
1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560474
4-(morpholin-4-ylamino)benzenesulfonamide
CID 83026277
3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 15006064

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide (CID 123022109) is 4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide?
The InChIKey is JVGCHVMHAMXBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O5S/c15-11-12(17-5-7-23-8-6-17)14(20)18(13(11)19)9-1-3-10(4-2-9)24(16,21)22/h1-4H,5-8H2,(H2,16,21,22).
What are the key properties of 4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide?
4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide has a molecular weight of 371.80 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide is sourced from PubChem (CID 123022109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).