N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C18H18ClN5O3S — CID 133314630

IUPACN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)nc1)N1CCCC1
InChIInChI=1S/C18H18ClN5O3S/c19-14-5-3-4-13(10-14)18-22-17(27-23-18)12-21-16-7-6-15(11-20-16)28(25,26)24-8-1-2-9-24/h3-7,10-11H,1-2,8-9,12H2,(H,20,21)
InChIKeyDFUHVENSZFIKSM-UHFFFAOYSA-N
MW419.89 g/mol
LogP3.18
Rot. Bonds6

About N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133314630) has the molecular formula C18H18ClN5O3S and a molecular weight of 419.89 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID133314630
Molecular FormulaC18H18ClN5O3S
Molecular Weight419.89 g/mol
Exact Mass419.08
IUPAC NameN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)nc1)N1CCCC1
InChIInChI=1S/C18H18ClN5O3S/c19-14-5-3-4-13(10-14)18-22-17(27-23-18)12-21-16-7-6-15(11-20-16)28(25,26)24-8-1-2-9-24/h3-7,10-11H,1-2,8-9,12H2,(H,20,21)
InChIKeyDFUHVENSZFIKSM-UHFFFAOYSA-N
XLogP3.18
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339647
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
CID 133314634
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682965
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682921
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 99184418
3-(3-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]-1,2,4-oxadiazole
CID 110293621
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline
CID 55680981
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168155
6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide
CID 133339646

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 133314630) is N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)nc1)N1CCCC1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is DFUHVENSZFIKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3S/c19-14-5-3-4-13(10-14)18-22-17(27-23-18)12-21-16-7-6-15(11-20-16)28(25,26)24-8-1-2-9-24/h3-7,10-11H,1-2,8-9,12H2,(H,20,21).
What are the key properties of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 419.89 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133314630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).