N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide

C6H12ClNO4S — CID 87571308

IUPACN-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide
SMILESCC1(C)OCC(CS(=O)(=O)NCl)O1
InChIInChI=1S/C6H12ClNO4S/c1-6(2)11-3-5(12-6)4-13(9,10)8-7/h5,8H,3-4H2,1-2H3
InChIKeyMSYDAQSTLNRBLW-UHFFFAOYSA-N
MW229.68 g/mol
LogP0.21
Rot. Bonds3

About N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide

N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide (PubChem CID 87571308) has the molecular formula C6H12ClNO4S and a molecular weight of 229.68 g/mol. Its IUPAC name is N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide
PubChem CID87571308
Molecular FormulaC6H12ClNO4S
Molecular Weight229.68 g/mol
Exact Mass229.02
IUPAC NameN-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide
SMILESCC1(C)OCC(CS(=O)(=O)NCl)O1
InChIInChI=1S/C6H12ClNO4S/c1-6(2)11-3-5(12-6)4-13(9,10)8-7/h5,8H,3-4H2,1-2H3
InChIKeyMSYDAQSTLNRBLW-UHFFFAOYSA-N
XLogP0.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 107389889
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanesulfonic acid
CID 87931343
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylsulfonylethanesulfonamide
CID 107389863
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide
CID 19426282
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide
CID 107389947
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate
CID 86615867
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide
CID 89253259
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopropane-1-sulfonic acid
CID 71616121

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide?
The IUPAC name of N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide (CID 87571308) is N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide.
What is the SMILES notation for N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide?
The canonical SMILES for N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide is CC1(C)OCC(CS(=O)(=O)NCl)O1.
What is the InChIKey of N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide?
The InChIKey is MSYDAQSTLNRBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO4S/c1-6(2)11-3-5(12-6)4-13(9,10)8-7/h5,8H,3-4H2,1-2H3.
What are the key properties of N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide?
N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide has a molecular weight of 229.68 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide is sourced from PubChem (CID 87571308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).