N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide

C20H24N6O3S — CID 123598338

IUPACN-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2ncc(O)c(N(c3ccn[nH]3)C3CC3)n2)c1
InChIInChI=1S/C20H24N6O3S/c1-20(2,3)25-30(28,29)15-6-4-5-13(11-15)18-21-12-16(27)19(23-18)26(14-7-8-14)17-9-10-22-24-17/h4-6,9-12,14,25,27H,7-8H2,1-3H3,(H,22,24)
InChIKeyMZWCWSABVSUTKU-UHFFFAOYSA-N
MW428.52 g/mol
LogP2.95
Rot. Bonds6

About N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide

N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide (PubChem CID 123598338) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide
PubChem CID123598338
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC NameN-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2ncc(O)c(N(c3ccn[nH]3)C3CC3)n2)c1
InChIInChI=1S/C20H24N6O3S/c1-20(2,3)25-30(28,29)15-6-4-5-13(11-15)18-21-12-16(27)19(23-18)26(14-7-8-14)17-9-10-22-24-17/h4-6,9-12,14,25,27H,7-8H2,1-3H3,(H,22,24)
InChIKeyMZWCWSABVSUTKU-UHFFFAOYSA-N
XLogP2.95
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide (CID 123598338) is N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(-c2ncc(O)c(N(c3ccn[nH]3)C3CC3)n2)c1.
What is the InChIKey of N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide?
The InChIKey is MZWCWSABVSUTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-20(2,3)25-30(28,29)15-6-4-5-13(11-15)18-21-12-16(27)19(23-18)26(14-7-8-14)17-9-10-22-24-17/h4-6,9-12,14,25,27H,7-8H2,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide?
N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide has a molecular weight of 428.52 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 123598338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).