3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C12H15ClFNO3S — CID 91915496

IUPAC3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO3S/c1-15(7-9-4-5-18-8-9)19(16,17)10-2-3-12(14)11(13)6-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyLZLDSNDMHGQWCH-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.14
Rot. Bonds4

About 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 91915496) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID91915496
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO3S/c1-15(7-9-4-5-18-8-9)19(16,17)10-2-3-12(14)11(13)6-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyLZLDSNDMHGQWCH-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 91915496) is 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is CN(CC1CCOC1)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is LZLDSNDMHGQWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-15(7-9-4-5-18-8-9)19(16,17)10-2-3-12(14)11(13)6-10/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 307.77 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 91915496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).