N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide

C15H21Cl2NO3S — CID 164639260

IUPACN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide
SMILESC[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CC1CCOCC1
InChIInChI=1S/C15H21Cl2NO3S/c1-11(14-4-3-13(16)9-15(14)17)18(2)22(19,20)10-12-5-7-21-8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3/t11-/m0/s1
InChIKeyDKTQPBOHPDSCDI-NSHDSACASA-N
MW366.31 g/mol
LogP3.74
Rot. Bonds5

About N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide (PubChem CID 164639260) has the molecular formula C15H21Cl2NO3S and a molecular weight of 366.31 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide
PubChem CID164639260
Molecular FormulaC15H21Cl2NO3S
Molecular Weight366.31 g/mol
Exact Mass365.06
IUPAC NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide
SMILESC[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CC1CCOCC1
InChIInChI=1S/C15H21Cl2NO3S/c1-11(14-4-3-13(16)9-15(14)17)18(2)22(19,20)10-12-5-7-21-8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3/t11-/m0/s1
InChIKeyDKTQPBOHPDSCDI-NSHDSACASA-N
XLogP3.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide
CID 99817100
N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide
CID 60745550
5-chloro-2-(oxan-4-ylmethylsulfonyl)aniline
CID 81175716
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268025
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide
CID 75519267
1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 54932273
1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide
CID 91905216
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51934800
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 55598828
4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane
CID 139746766

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide (CID 164639260) is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide is C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CC1CCOCC1.
What is the InChIKey of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is DKTQPBOHPDSCDI-NSHDSACASA-N. The full InChI is InChI=1S/C15H21Cl2NO3S/c1-11(14-4-3-13(16)9-15(14)17)18(2)22(19,20)10-12-5-7-21-8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide?
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 366.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 164639260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).