4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide

C18H15N7O2S — CID 162394972

IUPAC4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide
SMILESNc1nn2c(-c3ccccc3)ccnc2c1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H15N7O2S/c19-17-16(23-22-13-6-8-14(9-7-13)28(20,26)27)18-21-11-10-15(25(18)24-17)12-4-2-1-3-5-12/h1-11H,(H2,19,24)(H2,20,26,27)/b23-22+
InChIKeyQOOYRRCOJRNTCR-GHVJWSGMSA-N
MW393.43 g/mol
LogP3.04
Rot. Bonds4

About 4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide

4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide (PubChem CID 162394972) has the molecular formula C18H15N7O2S and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide
PubChem CID162394972
Molecular FormulaC18H15N7O2S
Molecular Weight393.43 g/mol
Exact Mass393.10
IUPAC Name4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide
SMILESNc1nn2c(-c3ccccc3)ccnc2c1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H15N7O2S/c19-17-16(23-22-13-6-8-14(9-7-13)28(20,26)27)18-21-11-10-15(25(18)24-17)12-4-2-1-3-5-12/h1-11H,(H2,19,24)(H2,20,26,27)/b23-22+
InChIKeyQOOYRRCOJRNTCR-GHVJWSGMSA-N
XLogP3.04
TPSA141.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Sgk1-IN-1
CID 71506845
DB-02197
CID 5288527
Cep-33779
CID 57336812
4-[5-(trans-4-Aminocyclohexylamino)-3-isopropylpyrazolo[1,5-A]pyrimidin-7-ylamino]-N,N-dimethylbenzenesulfonamide
CID 5287990
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
Imidazo[1,2-b]pyridazine deriv. 2c
CID 6539039
4-((5-(Cyclohexylamino)(1,2,4)triazolo(1,5-A)pyrimidin-7-YL)amino)benzenesulfonamide
CID 23586146
3-(benzenesulfonyl)-N-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazolin-2-amine
CID 44156754
N-Methyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
CID 46867519
Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)-2-pyrimidinyl)amino)-2-methyl-
CID 68319455
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
4-({5-[(4-aminocyclohexyl)amino]-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 9825189

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide (CID 162394972) is 4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide is Nc1nn2c(-c3ccccc3)ccnc2c1/N=N/c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is QOOYRRCOJRNTCR-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H15N7O2S/c19-17-16(23-22-13-6-8-14(9-7-13)28(20,26)27)18-21-11-10-15(25(18)24-17)12-4-2-1-3-5-12/h1-11H,(H2,19,24)(H2,20,26,27)/b23-22+.
What are the key properties of 4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide?
4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 393.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 162394972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).