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

C20H18N4O3S2 — CID 11597075

IUPACN-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C20H18N4O3S2/c1-13(2)29(26,27)23-15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(25)18-7-4-10-28-18/h3-13,23H,1-2H3
InChIKeySOXBPIOLDMNFEV-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.84
Rot. Bonds6

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

N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide (PubChem CID 11597075) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide
PubChem CID11597075
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC NameN-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C20H18N4O3S2/c1-13(2)29(26,27)23-15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(25)18-7-4-10-28-18/h3-13,23H,1-2H3
InChIKeySOXBPIOLDMNFEV-UHFFFAOYSA-N
XLogP3.84
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide (CID 11597075) is N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide?
The InChIKey is SOXBPIOLDMNFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-13(2)29(26,27)23-15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(25)18-7-4-10-28-18/h3-13,23H,1-2H3.
What are the key properties of N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide?
N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide has a molecular weight of 426.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 11597075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).