2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C16H16Cl2N2O3S — CID 3750785

IUPAC2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c17-12-1-6-15(18)16(11-12)24(21,22)19-13-2-4-14(5-3-13)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2
InChIKeyJAERPLWJWROTBY-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.63
Rot. Bonds4

About 2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 3750785) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID3750785
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c17-12-1-6-15(18)16(11-12)24(21,22)19-13-2-4-14(5-3-13)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2
InChIKeyJAERPLWJWROTBY-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 788793
1-(3-Chlorophenyl)-4-(2,5-dichlorobenzene-1-sulfonyl)piperazine
CID 386370
3-amino-N-(2,5-dichlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3866644
N-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}phenyl)-N-methylacetamide
CID 1214257
3-chloro-4-fluoro-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813491
2-{4-[(2,5-dichlorophenyl)sulfonyl]piperazin-1-yl}-N-[4-(dimethylamino)phenyl]acetamide
CID 3236568
5-amino-N-(2,5-dichlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 3870175
4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4794708
2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 4857878
N-[3-chloro-4-(4-morpholinyl)phenyl]-4-(methylthio)benzenesulfonamide
CID 1252109

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 3750785) is 2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is JAERPLWJWROTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c17-12-1-6-15(18)16(11-12)24(21,22)19-13-2-4-14(5-3-13)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2.
What are the key properties of 2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 387.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 3750785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).