2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride

C10H9Cl2NO4S — CID 22151120

IUPAC2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride
SMILESO=C1OCCN1Cc1cccc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H9Cl2NO4S/c11-8-3-1-2-7(9(8)18(12,15)16)6-13-4-5-17-10(13)14/h1-3H,4-6H2
InChIKeyIIUVRGQVXUWPED-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride

2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride (PubChem CID 22151120) has the molecular formula C10H9Cl2NO4S and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride
PubChem CID22151120
Molecular FormulaC10H9Cl2NO4S
Molecular Weight310.16 g/mol
Exact Mass308.96
IUPAC Name2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride
SMILESO=C1OCCN1Cc1cccc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H9Cl2NO4S/c11-8-3-1-2-7(9(8)18(12,15)16)6-13-4-5-17-10(13)14/h1-3H,4-6H2
InChIKeyIIUVRGQVXUWPED-UHFFFAOYSA-N
XLogP2.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid
CID 81318059
3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 107347624
3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium
CID 164530225
3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one
CID 134018841
2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719354
3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 62465616
3-(2,3-dichlorophenyl)-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]propanamide
CID 47042427
3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198
2,6-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
CID 47063050
4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345504
3-benzyl-6,9-bis-(4-methylphenyl)sulfonyl-1-oxa-3,6,9-triazacycloundecan-2-one
CID 10984666
3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one
CID 43350343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride?
The IUPAC name of 2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride (CID 22151120) is 2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride is O=C1OCCN1Cc1cccc(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride?
The InChIKey is IIUVRGQVXUWPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4S/c11-8-3-1-2-7(9(8)18(12,15)16)6-13-4-5-17-10(13)14/h1-3H,4-6H2.
What are the key properties of 2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride?
2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride has a molecular weight of 310.16 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride is sourced from PubChem (CID 22151120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).