2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide

C12H15ClN2O4S — CID 110719354

IUPAC2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESO=C1OCCN1CCCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-10-4-1-2-5-11(10)20(17,18)14-6-3-7-15-8-9-19-12(15)16/h1-2,4-5,14H,3,6-9H2
InChIKeyPKWZOCXOOSSLOX-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.46
Rot. Bonds6

About 2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide

2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (PubChem CID 110719354) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
PubChem CID110719354
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESO=C1OCCN1CCCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-10-4-1-2-5-11(10)20(17,18)14-6-3-7-15-8-9-19-12(15)16/h1-2,4-5,14H,3,6-9H2
InChIKeyPKWZOCXOOSSLOX-UHFFFAOYSA-N
XLogP1.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719352
4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719303
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
2-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707207
3,4-dimethoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719319
2-chloro-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
CID 110717021
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267368

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (CID 110719354) is 2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is O=C1OCCN1CCCNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The InChIKey is PKWZOCXOOSSLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c13-10-4-1-2-5-11(10)20(17,18)14-6-3-7-15-8-9-19-12(15)16/h1-2,4-5,14H,3,6-9H2.
What are the key properties of 2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide has a molecular weight of 318.78 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 110719354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).