2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline

C12H17ClN2O3S — CID 81202042

IUPAC2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline
SMILESNc1ccc(S(=O)(=O)CCN2CCOCC2)cc1Cl
InChIInChI=1S/C12H17ClN2O3S/c13-11-9-10(1-2-12(11)14)19(16,17)8-5-15-3-6-18-7-4-15/h1-2,9H,3-8,14H2
InChIKeyCXFZUUSLKXKTKZ-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.03
Rot. Bonds4

About 2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline

2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline (PubChem CID 81202042) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline
PubChem CID81202042
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline
SMILESNc1ccc(S(=O)(=O)CCN2CCOCC2)cc1Cl
InChIInChI=1S/C12H17ClN2O3S/c13-11-9-10(1-2-12(11)14)19(16,17)8-5-15-3-6-18-7-4-15/h1-2,9H,3-8,14H2
InChIKeyCXFZUUSLKXKTKZ-UHFFFAOYSA-N
XLogP1.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine
CID 1099236
2-chloro-4-(2-methylsulfonylethylsulfonyl)aniline
CID 81202138
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
CID 82165517
2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline
CID 58962640
3-(4-amino-3-chlorophenyl)sulfonylpropanenitrile
CID 154164908
2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 113288420
2-chloro-4-(2-phenylethylsulfonyl)aniline
CID 81201936
2-chloro-4-[3-(oxolan-2-yl)propylsulfonyl]aniline
CID 81200951
2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 81201911
2-chloro-4-[3-(dimethylamino)propylsulfonyl]aniline
CID 114526935
2-chloro-4-(2-thiophen-2-ylethylsulfonyl)aniline
CID 81202461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline?
The IUPAC name of 2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline (CID 81202042) is 2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline.
What is the SMILES notation for 2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline?
The canonical SMILES for 2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline is Nc1ccc(S(=O)(=O)CCN2CCOCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline?
The InChIKey is CXFZUUSLKXKTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c13-11-9-10(1-2-12(11)14)19(16,17)8-5-15-3-6-18-7-4-15/h1-2,9H,3-8,14H2.
What are the key properties of 2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline?
2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline has a molecular weight of 304.80 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline is sourced from PubChem (CID 81202042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).