2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide

C12H15ClFNO4S — CID 103815251

IUPAC2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide
SMILESCC1(C)OCC(CNS(=O)(=O)c2cc(F)ccc2Cl)O1
InChIInChI=1S/C12H15ClFNO4S/c1-12(2)18-7-9(19-12)6-15-20(16,17)11-5-8(14)3-4-10(11)13/h3-5,9,15H,6-7H2,1-2H3
InChIKeyIEVMUOIZOMRHNX-UHFFFAOYSA-N
MW323.77 g/mol
LogP1.91
Rot. Bonds4

About 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide

2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide (PubChem CID 103815251) has the molecular formula C12H15ClFNO4S and a molecular weight of 323.77 g/mol. Its IUPAC name is 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide
PubChem CID103815251
Molecular FormulaC12H15ClFNO4S
Molecular Weight323.77 g/mol
Exact Mass323.04
IUPAC Name2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide
SMILESCC1(C)OCC(CNS(=O)(=O)c2cc(F)ccc2Cl)O1
InChIInChI=1S/C12H15ClFNO4S/c1-12(2)18-7-9(19-12)6-15-20(16,17)11-5-8(14)3-4-10(11)13/h3-5,9,15H,6-7H2,1-2H3
InChIKeyIEVMUOIZOMRHNX-UHFFFAOYSA-N
XLogP1.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)-2,5-dichlorobenzenesulfonamide
CID 18583966
3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide
CID 164630836
6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide
CID 164639906
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-4-chlorobenzenesulfonamide
CID 16800173
2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3297590
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-fluorobenzenesulfonamide
CID 3478730
3-chloro-N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-4-fluorobenzenesulfonamide
CID 3491810
2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3607816
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide
CID 3670736
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 3736917
2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 3799359
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 3843146

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide (CID 103815251) is 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide is CC1(C)OCC(CNS(=O)(=O)c2cc(F)ccc2Cl)O1.
What is the InChIKey of 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide?
The InChIKey is IEVMUOIZOMRHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO4S/c1-12(2)18-7-9(19-12)6-15-20(16,17)11-5-8(14)3-4-10(11)13/h3-5,9,15H,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide?
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide has a molecular weight of 323.77 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 103815251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).