N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide

C20H15ClN2O4S3 — CID 23097746

IUPACN-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide
SMILESO=C1CC(Sc2ccc(NS(=O)(=O)c3cccs3)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O4S3/c21-13-3-7-15(8-4-13)23-18(24)12-17(20(23)25)29-16-9-5-14(6-10-16)22-30(26,27)19-2-1-11-28-19/h1-11,17,22H,12H2
InChIKeyIQMVNYBXKVBWOD-UHFFFAOYSA-N
MW479.00 g/mol
LogP4.63
Rot. Bonds6

About N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide

N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide (PubChem CID 23097746) has the molecular formula C20H15ClN2O4S3 and a molecular weight of 479.00 g/mol. Its IUPAC name is N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide
PubChem CID23097746
Molecular FormulaC20H15ClN2O4S3
Molecular Weight479.00 g/mol
Exact Mass477.99
IUPAC NameN-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide
SMILESO=C1CC(Sc2ccc(NS(=O)(=O)c3cccs3)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O4S3/c21-13-3-7-15(8-4-13)23-18(24)12-17(20(23)25)29-16-9-5-14(6-10-16)22-30(26,27)19-2-1-11-28-19/h1-11,17,22H,12H2
InChIKeyIQMVNYBXKVBWOD-UHFFFAOYSA-N
XLogP4.63
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 54.63
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

N-[4-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide
CID 21167700
4-[2,5-dioxo-3-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpyrrolidin-1-yl]benzamide
CID 23098766
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
2-(4-chlorophenyl)-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]acetamide
CID 23098457
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98568401
(E)-4-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22779335
(3R)-3-(4-chlorophenyl)sulfanyl-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7104101
2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide
CID 23100634
N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 23098692
(3R)-3-(3-aminophenyl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 98470656
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide (CID 23097746) is N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide is O=C1CC(Sc2ccc(NS(=O)(=O)c3cccs3)cc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide?
The InChIKey is IQMVNYBXKVBWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4S3/c21-13-3-7-15(8-4-13)23-18(24)12-17(20(23)25)29-16-9-5-14(6-10-16)22-30(26,27)19-2-1-11-28-19/h1-11,17,22H,12H2.
What are the key properties of N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide?
N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide has a molecular weight of 479.00 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 23097746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).