3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide

C10H9Cl2NO3S2 — CID 6927432

IUPAC3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide
SMILESO=C1SCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO3S2/c11-7-2-1-6(5-8(7)12)18(15,16)13-9-3-4-17-10(9)14/h1-2,5,9,13H,3-4H2/t9-/m1/s1
InChIKeyZBVHUNKWZDRAHX-SECBINFHSA-N
MW326.23 g/mol
LogP2.30
Rot. Bonds3

About 3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide

3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide (PubChem CID 6927432) has the molecular formula C10H9Cl2NO3S2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide
PubChem CID6927432
Molecular FormulaC10H9Cl2NO3S2
Molecular Weight326.23 g/mol
Exact Mass324.94
IUPAC Name3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide
SMILESO=C1SCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO3S2/c11-7-2-1-6(5-8(7)12)18(15,16)13-9-3-4-17-10(9)14/h1-2,5,9,13H,3-4H2/t9-/m1/s1
InChIKeyZBVHUNKWZDRAHX-SECBINFHSA-N
XLogP2.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide
CID 3348697
2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 5177491
2-oxo-N-[(3S)-2-oxothiolan-3-yl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 42558680
3-methyl-2-oxo-N-(2-oxothiolan-3-yl)-1,3-benzoxazole-5-sulfonamide
CID 5312165
1-acetyl-N-[(3R)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830687
1-acetyl-N-[(3S)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830688
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
2,4-difluoro-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 25048136
3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
CID 65030631
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719783

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide (CID 6927432) is 3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide is O=C1SCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide?
The InChIKey is ZBVHUNKWZDRAHX-SECBINFHSA-N. The full InChI is InChI=1S/C10H9Cl2NO3S2/c11-7-2-1-6(5-8(7)12)18(15,16)13-9-3-4-17-10(9)14/h1-2,5,9,13H,3-4H2/t9-/m1/s1.
What are the key properties of 3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide?
3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide has a molecular weight of 326.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 6927432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).