N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide

C20H19N5O3S — CID 24765894

IUPACN-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(-c3cnc4ccnn4c3N)cc2C)c1
InChIInChI=1S/C20H19N5O3S/c1-13-10-14(17-12-22-19-8-9-23-25(19)20(17)21)6-7-18(13)24-29(26,27)16-5-3-4-15(11-16)28-2/h3-12,24H,21H2,1-2H3
InChIKeyYYSHLNHMDZKSQJ-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.10
Rot. Bonds5

About N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide

N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide (PubChem CID 24765894) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide
PubChem CID24765894
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(-c3cnc4ccnn4c3N)cc2C)c1
InChIInChI=1S/C20H19N5O3S/c1-13-10-14(17-12-22-19-8-9-23-25(19)20(17)21)6-7-18(13)24-29(26,27)16-5-3-4-15(11-16)28-2/h3-12,24H,21H2,1-2H3
InChIKeyYYSHLNHMDZKSQJ-UHFFFAOYSA-N
XLogP3.10
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 24765791
3-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025164
N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-3-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24765699
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
CID 135075139
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
N-(4-methoxy-2-methylphenyl)-5-methyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173602
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-[2-(3-methoxyphenyl)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 139253973

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide (CID 24765894) is N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc(-c3cnc4ccnn4c3N)cc2C)c1.
What is the InChIKey of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide?
The InChIKey is YYSHLNHMDZKSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13-10-14(17-12-22-19-8-9-23-25(19)20(17)21)6-7-18(13)24-29(26,27)16-5-3-4-15(11-16)28-2/h3-12,24H,21H2,1-2H3.
What are the key properties of N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide?
N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylphenyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 24765894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).