4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide

C25H20N4O2S — CID 169372224

IUPAC4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3ccnc4c(-c5ccccc5)cnn34)c2)cc1
InChIInChI=1S/C25H20N4O2S/c1-18-10-12-22(13-11-18)32(30,31)28-21-9-5-8-20(16-21)24-14-15-26-25-23(17-27-29(24)25)19-6-3-2-4-7-19/h2-17,28H,1H3
InChIKeyIDARIRJHBLKXDT-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.17
Rot. Bonds5

About 4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide

4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide (PubChem CID 169372224) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is 4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide
PubChem CID169372224
Molecular FormulaC25H20N4O2S
Molecular Weight440.53 g/mol
Exact Mass440.13
IUPAC Name4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3ccnc4c(-c5ccccc5)cnn34)c2)cc1
InChIInChI=1S/C25H20N4O2S/c1-18-10-12-22(13-11-18)32(30,31)28-21-9-5-8-20(16-21)24-14-15-26-25-23(17-27-29(24)25)19-6-3-2-4-7-19/h2-17,28H,1H3
InChIKeyIDARIRJHBLKXDT-UHFFFAOYSA-N
XLogP5.17
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-bromo-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
CID 11720823
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631
ethyl 7-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969483
7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 66498127
N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
CID 11567532
N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169373356
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide (CID 169372224) is 4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccnc4c(-c5ccccc5)cnn34)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide?
The InChIKey is IDARIRJHBLKXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S/c1-18-10-12-22(13-11-18)32(30,31)28-21-9-5-8-20(16-21)24-14-15-26-25-23(17-27-29(24)25)19-6-3-2-4-7-19/h2-17,28H,1H3.
What are the key properties of 4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide?
4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide has a molecular weight of 440.53 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 169372224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).