N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide

C17H19BrFN3O3S — CID 154775184

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide
SMILESO=S(=O)(N1CCOCC1)N(Cc1ccccn1)Cc1ccc(Br)cc1F
InChIInChI=1S/C17H19BrFN3O3S/c18-15-5-4-14(17(19)11-15)12-22(13-16-3-1-2-6-20-16)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12-13H2
InChIKeyCFGWAJTZOVFSSL-UHFFFAOYSA-N
MW444.33 g/mol
LogP2.56
Rot. Bonds6

About N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide

N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide (PubChem CID 154775184) has the molecular formula C17H19BrFN3O3S and a molecular weight of 444.33 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide
PubChem CID154775184
Molecular FormulaC17H19BrFN3O3S
Molecular Weight444.33 g/mol
Exact Mass443.03
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide
SMILESO=S(=O)(N1CCOCC1)N(Cc1ccccn1)Cc1ccc(Br)cc1F
InChIInChI=1S/C17H19BrFN3O3S/c18-15-5-4-14(17(19)11-15)12-22(13-16-3-1-2-6-20-16)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12-13H2
InChIKeyCFGWAJTZOVFSSL-UHFFFAOYSA-N
XLogP2.56
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide (CID 154775184) is N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide is O=S(=O)(N1CCOCC1)N(Cc1ccccn1)Cc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide?
The InChIKey is CFGWAJTZOVFSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN3O3S/c18-15-5-4-14(17(19)11-15)12-22(13-16-3-1-2-6-20-16)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12-13H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide?
N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide has a molecular weight of 444.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 154775184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).