3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide

C23H27N5O3S — CID 126569975

IUPAC3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(-c2nc(-c3cc(S(=O)(=O)NCC4CCCOC4)ccc3C)cnc2N)ccn1
InChIInChI=1S/C23H27N5O3S/c1-15-5-6-19(32(29,30)27-12-17-4-3-9-31-14-17)11-20(15)21-13-26-23(24)22(28-21)18-7-8-25-16(2)10-18/h5-8,10-11,13,17,27H,3-4,9,12,14H2,1-2H3,(H2,24,26)
InChIKeyVUYIEUWVHANWEE-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.11
Rot. Bonds6

About 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide

3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 126569975) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID126569975
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(-c2nc(-c3cc(S(=O)(=O)NCC4CCCOC4)ccc3C)cnc2N)ccn1
InChIInChI=1S/C23H27N5O3S/c1-15-5-6-19(32(29,30)27-12-17-4-3-9-31-14-17)11-20(15)21-13-26-23(24)22(28-21)18-7-8-25-16(2)10-18/h5-8,10-11,13,17,27H,3-4,9,12,14H2,1-2H3,(H2,24,26)
InChIKeyVUYIEUWVHANWEE-UHFFFAOYSA-N
XLogP3.11
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide;sulfane
CID 161344874
3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 126570018
3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 118470135
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide;hydrochloride
CID 126512138
3-[5-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-4-methyl-N-[[(3S)-4-methylmorpholin-3-yl]methyl]benzenesulfonamide
CID 118470369
6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
CID 64601682
3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 162074354
3-[5-amino-6-[6-(oxan-4-yloxy)-3-pyridinyl]pyrazin-2-yl]-N-(3-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide
CID 126570031
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide
CID 135134432
3-amino-4-hydroxy-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 61126988
3-amino-4-bromo-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 115329018

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide (CID 126569975) is 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide is Cc1cc(-c2nc(-c3cc(S(=O)(=O)NCC4CCCOC4)ccc3C)cnc2N)ccn1.
What is the InChIKey of 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is VUYIEUWVHANWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-15-5-6-19(32(29,30)27-12-17-4-3-9-31-14-17)11-20(15)21-13-26-23(24)22(28-21)18-7-8-25-16(2)10-18/h5-8,10-11,13,17,27H,3-4,9,12,14H2,1-2H3,(H2,24,26).
What are the key properties of 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 126569975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).