N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide

C14H21ClN2O3S — CID 172615015

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide
SMILESCCN([C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H21ClN2O3S/c1-3-17(12(2)13-4-6-14(15)7-5-13)21(18,19)16-8-10-20-11-9-16/h4-7,12H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyAYYGDXDDFULMIJ-LBPRGKRZSA-N
MW332.85 g/mol
LogP2.30
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide (PubChem CID 172615015) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide
PubChem CID172615015
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide
SMILESCCN([C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H21ClN2O3S/c1-3-17(12(2)13-4-6-14(15)7-5-13)21(18,19)16-8-10-20-11-9-16/h4-7,12H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyAYYGDXDDFULMIJ-LBPRGKRZSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide
CID 172614995
N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 110706002
N-[1-(4-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115579428
N-(2-hydroxyethyl)-N-propan-2-ylmorpholine-4-sulfonamide
CID 43574633
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,4-diazepane-1-sulfonamide
CID 62979528
3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid
CID 75405739
(4-chlorophenyl) morpholine-4-sulfonate
CID 3680578
ethyl 2-[morpholin-4-ylsulfonyl(propan-2-yl)amino]acetate
CID 51087618
N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide
CID 172614986
N-[1-(4-chlorophenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55501188
N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine
CID 166311055
N-[(4-chlorophenyl)methyl]morpholine-4-sulfonamide
CID 51335123

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide (CID 172615015) is N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide is CCN([C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide?
The InChIKey is AYYGDXDDFULMIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-17(12(2)13-4-6-14(15)7-5-13)21(18,19)16-8-10-20-11-9-16/h4-7,12H,3,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide has a molecular weight of 332.85 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide is sourced from PubChem (CID 172615015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).