4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide

C14H18ClF3N2O3S — CID 43074811

IUPAC4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C14H18ClF3N2O3S/c1-10(20-4-6-23-7-5-20)9-19-24(21,22)11-2-3-13(15)12(8-11)14(16,17)18/h2-3,8,10,19H,4-7,9H2,1H3
InChIKeyAWQLDWFTTROHEV-UHFFFAOYSA-N
MW386.82 g/mol
LogP2.36
Rot. Bonds5

About 4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 43074811) has the molecular formula C14H18ClF3N2O3S and a molecular weight of 386.82 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID43074811
Molecular FormulaC14H18ClF3N2O3S
Molecular Weight386.82 g/mol
Exact Mass386.07
IUPAC Name4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C14H18ClF3N2O3S/c1-10(20-4-6-23-7-5-20)9-19-24(21,22)11-2-3-13(15)12(8-11)14(16,17)18/h2-3,8,10,19H,4-7,9H2,1H3
InChIKeyAWQLDWFTTROHEV-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210
N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 43064539
3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 110403316
3-bromo-4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106545497
N-[(2R)-2-morpholin-4-ylpropyl]-4-phenylbenzenesulfonamide
CID 39835568
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 55735133

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CID 43074811) is 4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AWQLDWFTTROHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O3S/c1-10(20-4-6-23-7-5-20)9-19-24(21,22)11-2-3-13(15)12(8-11)14(16,17)18/h2-3,8,10,19H,4-7,9H2,1H3.
What are the key properties of 4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 386.82 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43074811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).