1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide

C13H18ClNO3S — CID 91905741

IUPAC1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-15(8-11-6-7-18-9-11)19(16,17)10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3
InChIKeyXHNOUGDHLOOQPI-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.14
Rot. Bonds5

About 1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide

1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide (PubChem CID 91905741) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
PubChem CID91905741
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-15(8-11-6-7-18-9-11)19(16,17)10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3
InChIKeyXHNOUGDHLOOQPI-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide (CID 91905741) is 1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide is CN(CC1CCOC1)S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide?
The InChIKey is XHNOUGDHLOOQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-15(8-11-6-7-18-9-11)19(16,17)10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide?
1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 91905741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).