4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide

C18H15N5O3S — CID 135578059

IUPAC4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C18H15N5O3S/c1-12-7-9-14(10-8-12)27(25,26)22-16-15-17(19-11-20-18(15)24)23(21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22)(H,19,20,24)
InChIKeyJWIKGCXDOOOULB-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.22
Rot. Bonds4

About 4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide

4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide (PubChem CID 135578059) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide
PubChem CID135578059
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C18H15N5O3S/c1-12-7-9-14(10-8-12)27(25,26)22-16-15-17(19-11-20-18(15)24)23(21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22)(H,19,20,24)
InChIKeyJWIKGCXDOOOULB-UHFFFAOYSA-N
XLogP2.22
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide
CID 169373092
4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide
CID 10519258
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N,N-dimethyl-4-[7-(4-methylphenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
CID 135949441
N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
CID 170397534
N,N-dimethyl-4-[5-(4-methylphenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 138555662
4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide
CID 122531268
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
CID 99165832
3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135439535
4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide
CID 17220334

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide (CID 135578059) is 4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.
What is the InChIKey of 4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide?
The InChIKey is JWIKGCXDOOOULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-12-7-9-14(10-8-12)27(25,26)22-16-15-17(19-11-20-18(15)24)23(21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22)(H,19,20,24).
What are the key properties of 4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide?
4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide has a molecular weight of 381.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 135578059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).