1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide

C8H16ClNO3S — CID 82746149

IUPAC1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide
SMILESCC(CCl)S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C8H16ClNO3S/c1-7(5-9)14(11,12)10(2)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3
InChIKeyNUVGUDAWMRQPDY-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.66
Rot. Bonds4

About 1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide

1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide (PubChem CID 82746149) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide
PubChem CID82746149
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide
SMILESCC(CCl)S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C8H16ClNO3S/c1-7(5-9)14(11,12)10(2)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3
InChIKeyNUVGUDAWMRQPDY-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide?
The IUPAC name of 1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide (CID 82746149) is 1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide?
The canonical SMILES for 1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide is CC(CCl)S(=O)(=O)N(C)C1CCOC1.
What is the InChIKey of 1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide?
The InChIKey is NUVGUDAWMRQPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-7(5-9)14(11,12)10(2)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide?
1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide has a molecular weight of 241.74 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 82746149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).