1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide

C15H22ClNO3S — CID 91915414

IUPAC1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClNO3S/c1-2-8-17(10-13-7-9-20-11-13)21(18,19)12-14-5-3-4-6-15(14)16/h3-6,13H,2,7-12H2,1H3
InChIKeyOSJGIBXKCDTMFI-UHFFFAOYSA-N
MW331.86 g/mol
LogP2.92
Rot. Bonds7

About 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide

1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide (PubChem CID 91915414) has the molecular formula C15H22ClNO3S and a molecular weight of 331.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide
PubChem CID91915414
Molecular FormulaC15H22ClNO3S
Molecular Weight331.86 g/mol
Exact Mass331.10
IUPAC Name1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClNO3S/c1-2-8-17(10-13-7-9-20-11-13)21(18,19)12-14-5-3-4-6-15(14)16/h3-6,13H,2,7-12H2,1H3
InChIKeyOSJGIBXKCDTMFI-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.86
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide
CID 99767674
1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide
CID 95142044
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703
3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915434
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905709
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 91915494
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915442
1-(2-chlorophenyl)-N,N-bis(2-cyanoethyl)methanesulfonamide
CID 17257633
N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide
CID 102555038
4-ethylsulfonyl-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]aniline
CID 99790164

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide (CID 91915414) is 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide?
The InChIKey is OSJGIBXKCDTMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-2-8-17(10-13-7-9-20-11-13)21(18,19)12-14-5-3-4-6-15(14)16/h3-6,13H,2,7-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide?
1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide has a molecular weight of 331.86 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide is sourced from PubChem (CID 91915414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).