N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

C16H18ClN3O3S — CID 9281619

IUPACN-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2cccc(Cl)c2)nc1)N1CCOCC1
InChIInChI=1S/C16H18ClN3O3S/c17-14-3-1-2-13(10-14)11-18-16-5-4-15(12-19-16)24(21,22)20-6-8-23-9-7-20/h1-5,10,12H,6-9,11H2,(H,18,19)
InChIKeySSQHWLQHOLWUIG-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.37
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 9281619) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID9281619
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2cccc(Cl)c2)nc1)N1CCOCC1
InChIInChI=1S/C16H18ClN3O3S/c17-14-3-1-2-13(10-14)11-18-16-5-4-15(12-19-16)24(21,22)20-6-8-23-9-7-20/h1-5,10,12H,6-9,11H2,(H,18,19)
InChIKeySSQHWLQHOLWUIG-UHFFFAOYSA-N
XLogP2.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine
CID 55627000
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55638539
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
CID 9112932
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133314630
N,N-dimethyl-3-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]pyridin-2-amine
CID 55827227
N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine
CID 70304486
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133406165
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 9281619) is N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCc2cccc(Cl)c2)nc1)N1CCOCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is SSQHWLQHOLWUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c17-14-3-1-2-13(10-14)11-18-16-5-4-15(12-19-16)24(21,22)20-6-8-23-9-7-20/h1-5,10,12H,6-9,11H2,(H,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 367.86 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 9281619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).