2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline

C10H11BrClFN2O3S — CID 103077144

IUPAC2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline
SMILESNc1c(F)c(S(=O)(=O)N2CCOCC2)cc(Cl)c1Br
InChIInChI=1S/C10H11BrClFN2O3S/c11-8-6(12)5-7(9(13)10(8)14)19(16,17)15-1-3-18-4-2-15/h5H,1-4,14H2
InChIKeyRTLJOVPGMCLHBQ-UHFFFAOYSA-N
MW373.63 g/mol
LogP1.84
Rot. Bonds2

About 2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline

2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline (PubChem CID 103077144) has the molecular formula C10H11BrClFN2O3S and a molecular weight of 373.63 g/mol. Its IUPAC name is 2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline
PubChem CID103077144
Molecular FormulaC10H11BrClFN2O3S
Molecular Weight373.63 g/mol
Exact Mass371.93
IUPAC Name2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline
SMILESNc1c(F)c(S(=O)(=O)N2CCOCC2)cc(Cl)c1Br
InChIInChI=1S/C10H11BrClFN2O3S/c11-8-6(12)5-7(9(13)10(8)14)19(16,17)15-1-3-18-4-2-15/h5H,1-4,14H2
InChIKeyRTLJOVPGMCLHBQ-UHFFFAOYSA-N
XLogP1.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline?
The IUPAC name of 2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline (CID 103077144) is 2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline is Nc1c(F)c(S(=O)(=O)N2CCOCC2)cc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline?
The InChIKey is RTLJOVPGMCLHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFN2O3S/c11-8-6(12)5-7(9(13)10(8)14)19(16,17)15-1-3-18-4-2-15/h5H,1-4,14H2.
What are the key properties of 2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline?
2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline has a molecular weight of 373.63 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-6-fluoro-5-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 103077144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).