4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide

C16H19N5O3S — CID 56888706

IUPAC4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCNc2cc(C)nc3ccnn23)cc1
InChIInChI=1S/C16H19N5O3S/c1-12-11-16(21-15(20-12)7-8-18-21)17-9-10-19-25(22,23)14-5-3-13(24-2)4-6-14/h3-8,11,17,19H,9-10H2,1-2H3
InChIKeyJPZFNHGVZKVTBT-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.44
Rot. Bonds7

About 4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide

4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide (PubChem CID 56888706) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
PubChem CID56888706
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCNc2cc(C)nc3ccnn23)cc1
InChIInChI=1S/C16H19N5O3S/c1-12-11-16(21-15(20-12)7-8-18-21)17-9-10-19-25(22,23)14-5-3-13(24-2)4-6-14/h3-8,11,17,19H,9-10H2,1-2H3
InChIKeyJPZFNHGVZKVTBT-UHFFFAOYSA-N
XLogP1.44
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 121075443
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
3,5-difluoro-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 122294776
N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 44754453
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56891110
3-chloro-4-fluoro-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 122294762
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
5-chloro-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23131907
4-methoxy-N-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethyl]benzenesulfonamide
CID 31667015

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide (CID 56888706) is 4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCNc2cc(C)nc3ccnn23)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is JPZFNHGVZKVTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-12-11-16(21-15(20-12)7-8-18-21)17-9-10-19-25(22,23)14-5-3-13(24-2)4-6-14/h3-8,11,17,19H,9-10H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide?
4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 361.43 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 56888706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).