2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

C11H13ClFNO4S — CID 103848197

IUPAC2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOC1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO4S/c12-9-5-8(13)1-2-10(9)19(16,17)14-6-11(15)3-4-18-7-11/h1-2,5,14-15H,3-4,6-7H2
InChIKeyQJOLSGAQBYJZRN-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.91
Rot. Bonds4

About 2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (PubChem CID 103848197) has the molecular formula C11H13ClFNO4S and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
PubChem CID103848197
Molecular FormulaC11H13ClFNO4S
Molecular Weight309.75 g/mol
Exact Mass309.02
IUPAC Name2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOC1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO4S/c12-9-5-8(13)1-2-10(9)19(16,17)14-6-11(15)3-4-18-7-11/h1-2,5,14-15H,3-4,6-7H2
InChIKeyQJOLSGAQBYJZRN-UHFFFAOYSA-N
XLogP0.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090
4-fluoro-3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 106099823
3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848049
4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106100372
4-amino-2-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099294
2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848108
5-chloro-2-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848172
4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099213
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzenesulfonamide
CID 56765216
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (CID 103848197) is 2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCOC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The InChIKey is QJOLSGAQBYJZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4S/c12-9-5-8(13)1-2-10(9)19(16,17)14-6-11(15)3-4-18-7-11/h1-2,5,14-15H,3-4,6-7H2.
What are the key properties of 2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide has a molecular weight of 309.75 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103848197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).