2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline

C15H20BrFN2O3S — CID 162747419

IUPAC2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline
SMILESCN(CC1CC1)c1cc(F)c(S(=O)(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C15H20BrFN2O3S/c1-18(10-11-2-3-11)14-9-13(17)15(8-12(14)16)23(20,21)19-4-6-22-7-5-19/h8-9,11H,2-7,10H2,1H3
InChIKeyLFUWYTSSFKLAQI-UHFFFAOYSA-N
MW407.31 g/mol
LogP2.46
Rot. Bonds5

About 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline

2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline (PubChem CID 162747419) has the molecular formula C15H20BrFN2O3S and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline
PubChem CID162747419
Molecular FormulaC15H20BrFN2O3S
Molecular Weight407.31 g/mol
Exact Mass406.04
IUPAC Name2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline
SMILESCN(CC1CC1)c1cc(F)c(S(=O)(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C15H20BrFN2O3S/c1-18(10-11-2-3-11)14-9-13(17)15(8-12(14)16)23(20,21)19-4-6-22-7-5-19/h8-9,11H,2-7,10H2,1H3
InChIKeyLFUWYTSSFKLAQI-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline?
The IUPAC name of 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline (CID 162747419) is 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline is CN(CC1CC1)c1cc(F)c(S(=O)(=O)N2CCOCC2)cc1Br.
What is the InChIKey of 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline?
The InChIKey is LFUWYTSSFKLAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O3S/c1-18(10-11-2-3-11)14-9-13(17)15(8-12(14)16)23(20,21)19-4-6-22-7-5-19/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline?
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline has a molecular weight of 407.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 162747419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).