1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide

C14H20ClNO3S — CID 91905216

IUPAC1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-16(10-12-5-7-19-8-6-12)20(17,18)11-13-3-2-4-14(15)9-13/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyGGCSYRWVMVOZCQ-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.53
Rot. Bonds5

About 1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide

1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide (PubChem CID 91905216) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide
PubChem CID91905216
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-16(10-12-5-7-19-8-6-12)20(17,18)11-13-3-2-4-14(15)9-13/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyGGCSYRWVMVOZCQ-UHFFFAOYSA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide (CID 91905216) is 1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide is CN(CC1CCOCC1)S(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide?
The InChIKey is GGCSYRWVMVOZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-16(10-12-5-7-19-8-6-12)20(17,18)11-13-3-2-4-14(15)9-13/h2-4,9,12H,5-8,10-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide?
1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 91905216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).