2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline

C16H17ClN2O3S — CID 164676720

IUPAC2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline
SMILESNc1ccc(N2CCOCC2)cc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c17-12-1-4-14(5-2-12)23(20,21)16-11-13(3-6-15(16)18)19-7-9-22-10-8-19/h1-6,11H,7-10,18H2
InChIKeyNABPBQHUNITSLS-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.59
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline

2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline (PubChem CID 164676720) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline
PubChem CID164676720
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline
SMILESNc1ccc(N2CCOCC2)cc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c17-12-1-4-14(5-2-12)23(20,21)16-11-13(3-6-15(16)18)19-7-9-22-10-8-19/h1-6,11H,7-10,18H2
InChIKeyNABPBQHUNITSLS-UHFFFAOYSA-N
XLogP2.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.59
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

5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
5-Amino-N-(4-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3422328
ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate
CID 4072808
5-Amino-N-(2-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3767555
5-amino-N-(2,5-dichlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 3870175
N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
CID 4424826
4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4794708
[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-(3-morpholin-4-yl-propyl)-amine
CID 10572878
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide
CID 4173641
N-[3-chloro-4-(4-morpholinyl)phenyl]-4-(methylthio)benzenesulfonamide
CID 1252109
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide
CID 2091420
3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 2437686

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline (CID 164676720) is 2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline is Nc1ccc(N2CCOCC2)cc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline?
The InChIKey is NABPBQHUNITSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c17-12-1-4-14(5-2-12)23(20,21)16-11-13(3-6-15(16)18)19-7-9-22-10-8-19/h1-6,11H,7-10,18H2.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline?
2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline has a molecular weight of 352.84 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-4-morpholin-4-ylaniline is sourced from PubChem (CID 164676720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).