2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide

C11H12Cl2FNO3S — CID 99858909

IUPAC2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
SMILESCN([C@@H]1CCOC1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H12Cl2FNO3S/c1-15(7-4-5-18-6-7)19(16,17)9-3-2-8(12)11(14)10(9)13/h2-3,7H,4-6H2,1H3/t7-/m1/s1
InChIKeyBAVSVXSDSRWJES-SSDOTTSWSA-N
MW328.19 g/mol
LogP2.54
Rot. Bonds3

About 2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide

2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide (PubChem CID 99858909) has the molecular formula C11H12Cl2FNO3S and a molecular weight of 328.19 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
PubChem CID99858909
Molecular FormulaC11H12Cl2FNO3S
Molecular Weight328.19 g/mol
Exact Mass326.99
IUPAC Name2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
SMILESCN([C@@H]1CCOC1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H12Cl2FNO3S/c1-15(7-4-5-18-6-7)19(16,17)9-3-2-8(12)11(14)10(9)13/h2-3,7H,4-6H2,1H3/t7-/m1/s1
InChIKeyBAVSVXSDSRWJES-SSDOTTSWSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
3-(chloromethyl)-2,4-difluoro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745508
5-bromo-3-(chloromethyl)-2-fluoro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745729
4-bromo-N,2-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99634312
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744473
5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745272
5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740574
4-amino-2-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740986
2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide
CID 103087901
4-chloro-N,2-dimethyl-5-nitro-N-(oxolan-3-yl)benzenesulfonamide
CID 81495206
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698
5-(chloromethyl)-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744947

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide (CID 99858909) is 2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide is CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
The InChIKey is BAVSVXSDSRWJES-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12Cl2FNO3S/c1-15(7-4-5-18-6-7)19(16,17)9-3-2-8(12)11(14)10(9)13/h2-3,7H,4-6H2,1H3/t7-/m1/s1.
What are the key properties of 2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide has a molecular weight of 328.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 99858909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).