N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine

C19H18ClN5O3S — CID 124974476

IUPACN-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
SMILESO=S(=O)(c1ccccc1Cl)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1
InChIInChI=1S/C19H18ClN5O3S/c20-14-4-1-2-6-17(14)29(26,27)25-10-11-28-16(13-25)15-5-3-7-18(23-15)24-19-12-21-8-9-22-19/h1-9,12,16H,10-11,13H2,(H,22,23,24)/t16-/m1/s1
InChIKeyKQYYTTCFJYMZHK-MRXNPFEDSA-N
MW431.91 g/mol
LogP3.03
Rot. Bonds5

About N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine

N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 124974476) has the molecular formula C19H18ClN5O3S and a molecular weight of 431.91 g/mol. Its IUPAC name is N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
PubChem CID124974476
Molecular FormulaC19H18ClN5O3S
Molecular Weight431.91 g/mol
Exact Mass431.08
IUPAC NameN-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
SMILESO=S(=O)(c1ccccc1Cl)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1
InChIInChI=1S/C19H18ClN5O3S/c20-14-4-1-2-6-17(14)29(26,27)25-10-11-28-16(13-25)15-5-3-7-18(23-15)24-19-12-21-8-9-22-19/h1-9,12,16H,10-11,13H2,(H,22,23,24)/t16-/m1/s1
InChIKeyKQYYTTCFJYMZHK-MRXNPFEDSA-N
XLogP3.03
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine (CID 124974476) is N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine is O=S(=O)(c1ccccc1Cl)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1.
What is the InChIKey of N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is KQYYTTCFJYMZHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18ClN5O3S/c20-14-4-1-2-6-17(14)29(26,27)25-10-11-28-16(13-25)15-5-3-7-18(23-15)24-19-12-21-8-9-22-19/h1-9,12,16H,10-11,13H2,(H,22,23,24)/t16-/m1/s1.
What are the key properties of N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine?
N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 431.91 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 124974476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).