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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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).