N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide

C16H26ClNO3S — CID 146353116

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCOCC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO3S/c1-13(14-8-5-6-9-15(14)17)18-22(19,20)11-7-10-21-12-16(2,3)4/h5-6,8-9,13,18H,7,10-12H2,1-4H3/t13-/m1/s1
InChIKeyMOQBQFWLHVVILE-CYBMUJFWSA-N
MW347.91 g/mol
LogP3.77
Rot. Bonds8

About N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide (PubChem CID 146353116) has the molecular formula C16H26ClNO3S and a molecular weight of 347.91 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
PubChem CID146353116
Molecular FormulaC16H26ClNO3S
Molecular Weight347.91 g/mol
Exact Mass347.13
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCOCC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO3S/c1-13(14-8-5-6-9-15(14)17)18-22(19,20)11-7-10-21-12-16(2,3)4/h5-6,8-9,13,18H,7,10-12H2,1-4H3/t13-/m1/s1
InChIKeyMOQBQFWLHVVILE-CYBMUJFWSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-(2-chlorophenyl)ethyl]butane-1-sulfonamide
CID 116815054
N-[(1R)-1-[3-(cyclopentylmethoxy)phenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146352828
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81378158
2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 107650835
[1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2-methylpropan-2-yl]benzene
CID 158308844
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 107858607
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide
CID 95762229
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166997
N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 146353198

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide (CID 146353116) is N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCOCC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide?
The InChIKey is MOQBQFWLHVVILE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26ClNO3S/c1-13(14-8-5-6-9-15(14)17)18-22(19,20)11-7-10-21-12-16(2,3)4/h5-6,8-9,13,18H,7,10-12H2,1-4H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide has a molecular weight of 347.91 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide is sourced from PubChem (CID 146353116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).