N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine

C16H19N3O3S — CID 5268105

IUPACN-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C16H19N3O3S/c1-13-2-4-14(5-3-13)18-16-7-6-15(12-17-16)23(20,21)19-8-10-22-11-9-19/h2-7,12H,8-11H2,1H3,(H,17,18)
InChIKeyZKUZDTJEYWEZGT-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.15
Rot. Bonds4

About N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine

N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 5268105) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID5268105
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C16H19N3O3S/c1-13-2-4-14(5-3-13)18-16-7-6-15(12-17-16)23(20,21)19-8-10-22-11-9-19/h2-7,12H,8-11H2,1H3,(H,17,18)
InChIKeyZKUZDTJEYWEZGT-UHFFFAOYSA-N
XLogP2.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8565449
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268213
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9311729
5-morpholin-4-ylsulfonylpyridine-2-thiolate
CID 7063956
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133406165
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133306070

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 5268105) is N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine is Cc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is ZKUZDTJEYWEZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-13-2-4-14(5-3-13)18-16-7-6-15(12-17-16)23(20,21)19-8-10-22-11-9-19/h2-7,12H,8-11H2,1H3,(H,17,18).
What are the key properties of N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 333.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 5268105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).