N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide

C24H18N4O3S2 — CID 11627027

IUPACN-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
SMILESCN(c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H18N4O3S2/c1-27(33(30,31)19-9-3-2-4-10-19)18-8-5-7-17(15-18)21-12-13-25-24-20(16-26-28(21)24)23(29)22-11-6-14-32-22/h2-16H,1H3
InChIKeyIBNUGUMQYJISNU-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.51
Rot. Bonds6

About N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide

N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide (PubChem CID 11627027) has the molecular formula C24H18N4O3S2 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
PubChem CID11627027
Molecular FormulaC24H18N4O3S2
Molecular Weight474.57 g/mol
Exact Mass474.08
IUPAC NameN-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
SMILESCN(c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H18N4O3S2/c1-27(33(30,31)19-9-3-2-4-10-19)18-8-5-7-17(15-18)21-12-13-25-24-20(16-26-28(21)24)23(29)22-11-6-14-32-22/h2-16H,1H3
InChIKeyIBNUGUMQYJISNU-UHFFFAOYSA-N
XLogP4.51
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyano-N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
CID 11706004
N-ethyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
CID 11697899
N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide
CID 23649037
CID 87898441
CID 87898441
1-cyano-2-propan-2-yl-1-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]guanidine
CID 87916504
N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
CID 11668965
N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide
CID 86603960
4-bromo-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
CID 11720823
2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide
CID 11662100
[7-[3-(3,3-dimethylbutylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
CID 44590590
[7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
CID 11531944
[7-(3-amino-4-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
CID 76974101

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide (CID 11627027) is N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide is CN(c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide?
The InChIKey is IBNUGUMQYJISNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S2/c1-27(33(30,31)19-9-3-2-4-10-19)18-8-5-7-17(15-18)21-12-13-25-24-20(16-26-28(21)24)23(29)22-11-6-14-32-22/h2-16H,1H3.
What are the key properties of N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide?
N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide has a molecular weight of 474.57 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 11627027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).