1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide

C15H22ClNO3S — CID 131952531

IUPAC1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide
SMILESCCN(CC1CCCCO1)S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3S/c1-2-17(11-15-5-3-4-10-20-15)21(18,19)12-13-6-8-14(16)9-7-13/h6-9,15H,2-5,10-12H2,1H3
InChIKeyYJAPCRBDOVUFHY-UHFFFAOYSA-N
MW331.86 g/mol
LogP3.06
Rot. Bonds6

About 1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide

1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide (PubChem CID 131952531) has the molecular formula C15H22ClNO3S and a molecular weight of 331.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide
PubChem CID131952531
Molecular FormulaC15H22ClNO3S
Molecular Weight331.86 g/mol
Exact Mass331.10
IUPAC Name1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide
SMILESCCN(CC1CCCCO1)S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3S/c1-2-17(11-15-5-3-4-10-20-15)21(18,19)12-13-6-8-14(16)9-7-13/h6-9,15H,2-5,10-12H2,1H3
InChIKeyYJAPCRBDOVUFHY-UHFFFAOYSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.86
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851
3-amino-N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61435361
4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 54951943
N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide
CID 110604942
5-chloro-N-ethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64606943
3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86826801
4-chloro-N-methyl-2-nitro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 86825290
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2223143
4-N-[(4-ethoxyphenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189852
N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide
CID 51127502
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 81165783

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide (CID 131952531) is 1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide is CCN(CC1CCCCO1)S(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide?
The InChIKey is YJAPCRBDOVUFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-2-17(11-15-5-3-4-10-20-15)21(18,19)12-13-6-8-14(16)9-7-13/h6-9,15H,2-5,10-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide?
1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide has a molecular weight of 331.86 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 131952531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).