2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C17H17BrN2O4S — CID 1319395

IUPAC2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O4S/c18-16-4-2-1-3-15(16)17(21)19-13-5-7-14(8-6-13)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyMKWPNHBBIYDSTC-UHFFFAOYSA-N
MW425.30 g/mol
LogP2.72
Rot. Bonds4

About 2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 1319395) has the molecular formula C17H17BrN2O4S and a molecular weight of 425.30 g/mol. Its IUPAC name is 2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID1319395
Molecular FormulaC17H17BrN2O4S
Molecular Weight425.30 g/mol
Exact Mass424.01
IUPAC Name2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O4S/c18-16-4-2-1-3-15(16)17(21)19-13-5-7-14(8-6-13)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyMKWPNHBBIYDSTC-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 1319395) is 2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is MKWPNHBBIYDSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4S/c18-16-4-2-1-3-15(16)17(21)19-13-5-7-14(8-6-13)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21).
What are the key properties of 2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 425.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1319395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).