1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide

C17H19BrN2O3S — CID 100521055

IUPAC1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H19BrN2O3S/c18-15-3-1-14(2-4-15)13-24(21,22)19-16-5-7-17(8-6-16)20-9-11-23-12-10-20/h1-8,19H,9-13H2
InChIKeyJNAOLQVKXQULMG-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.23
Rot. Bonds5

About 1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide

1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide (PubChem CID 100521055) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide
PubChem CID100521055
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H19BrN2O3S/c18-15-3-1-14(2-4-15)13-24(21,22)19-16-5-7-17(8-6-16)20-9-11-23-12-10-20/h1-8,19H,9-13H2
InChIKeyJNAOLQVKXQULMG-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide (CID 100521055) is 1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide is O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide?
The InChIKey is JNAOLQVKXQULMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c18-15-3-1-14(2-4-15)13-24(21,22)19-16-5-7-17(8-6-16)20-9-11-23-12-10-20/h1-8,19H,9-13H2.
What are the key properties of 1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide?
1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide has a molecular weight of 411.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanesulfonamide is sourced from PubChem (CID 100521055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).