1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide

C19H21Cl2FN2O3S — CID 97013934

IUPAC1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C19H21Cl2FN2O3S/c20-16-4-2-1-3-15(16)19(24-7-9-27-10-8-24)12-23-28(25,26)13-14-5-6-18(22)17(21)11-14/h1-6,11,19,23H,7-10,12-13H2/t19-/m1/s1
InChIKeyGAANIQQBIOEQIY-LJQANCHMSA-N
MW447.36 g/mol
LogP3.63
Rot. Bonds7

About 1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide

1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide (PubChem CID 97013934) has the molecular formula C19H21Cl2FN2O3S and a molecular weight of 447.36 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
PubChem CID97013934
Molecular FormulaC19H21Cl2FN2O3S
Molecular Weight447.36 g/mol
Exact Mass446.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C19H21Cl2FN2O3S/c20-16-4-2-1-3-15(16)19(24-7-9-27-10-8-24)12-23-28(25,26)13-14-5-6-18(22)17(21)11-14/h1-6,11,19,23H,7-10,12-13H2/t19-/m1/s1
InChIKeyGAANIQQBIOEQIY-LJQANCHMSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110633437
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
4-chloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 46452560
2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 43064501
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 110314133
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 43064531
5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 43064529
4-[(1R)-1-(2-chlorophenyl)-2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]morpholine
CID 51943141
4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
CID 122030156
1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 75748881
1-(3-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 16933203
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide (CID 97013934) is 1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H](c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide?
The InChIKey is GAANIQQBIOEQIY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21Cl2FN2O3S/c20-16-4-2-1-3-15(16)19(24-7-9-27-10-8-24)12-23-28(25,26)13-14-5-6-18(22)17(21)11-14/h1-6,11,19,23H,7-10,12-13H2/t19-/m1/s1.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide?
1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide has a molecular weight of 447.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide is sourced from PubChem (CID 97013934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).