N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine

C17H19ClFN3O3S — CID 2999480

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCN(Cc1c(F)cccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H19ClFN3O3S/c1-21(12-14-15(18)3-2-4-16(14)19)17-6-5-13(11-20-17)26(23,24)22-7-9-25-10-8-22/h2-6,11H,7-10,12H2,1H3
InChIKeySKUUMMJRWPAOEF-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.53
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 2999480) has the molecular formula C17H19ClFN3O3S and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID2999480
Molecular FormulaC17H19ClFN3O3S
Molecular Weight399.88 g/mol
Exact Mass399.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCN(Cc1c(F)cccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H19ClFN3O3S/c1-21(12-14-15(18)3-2-4-16(14)19)17-6-5-13(11-20-17)26(23,24)22-7-9-25-10-8-22/h2-6,11H,7-10,12H2,1H3
InChIKeySKUUMMJRWPAOEF-UHFFFAOYSA-N
XLogP2.53
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 2999480) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine is CN(Cc1c(F)cccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is SKUUMMJRWPAOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O3S/c1-21(12-14-15(18)3-2-4-16(14)19)17-6-5-13(11-20-17)26(23,24)22-7-9-25-10-8-22/h2-6,11H,7-10,12H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 399.88 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 2999480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).