2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide

C14H15ClN6O3S — CID 70792543

IUPAC2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide
SMILESNS(=O)(=O)C1=CCC(c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)O1
InChIInChI=1S/C14H15ClN6O3S/c15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7/h4-7,10H,1-3H2,(H2,16,22,23)(H2,17,18,19,20,21)
InChIKeyRCLNJBZJELXVSI-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.07
Rot. Bonds5

About 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide

2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide (PubChem CID 70792543) has the molecular formula C14H15ClN6O3S and a molecular weight of 382.83 g/mol. Its IUPAC name is 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide.

Molecular Properties

Compound Name2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide
PubChem CID70792543
Molecular FormulaC14H15ClN6O3S
Molecular Weight382.83 g/mol
Exact Mass382.06
IUPAC Name2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide
SMILESNS(=O)(=O)C1=CCC(c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)O1
InChIInChI=1S/C14H15ClN6O3S/c15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7/h4-7,10H,1-3H2,(H2,16,22,23)(H2,17,18,19,20,21)
InChIKeyRCLNJBZJELXVSI-UHFFFAOYSA-N
XLogP2.07
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide with MolForge

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Related Compounds

2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrothiophene-5-carboximidamide
CID 88974046
5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 58169441
N-tert-butyl-5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide
CID 58169487
4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzoic acid
CID 58169209
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine
CID 90383982
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 58169387
methyl N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]carbamate
CID 58169237
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfinylthiophen-2-yl)pyrimidin-4-amine
CID 58169128
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine
CID 90381576
5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 68602988
2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-thiophen-2-ylethanol
CID 68898848
3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 58169527

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide?
The IUPAC name of 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide (CID 70792543) is 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide.
What is the SMILES notation for 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide?
The canonical SMILES for 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide is NS(=O)(=O)C1=CCC(c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)O1.
What is the InChIKey of 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide?
The InChIKey is RCLNJBZJELXVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O3S/c15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7/h4-7,10H,1-3H2,(H2,16,22,23)(H2,17,18,19,20,21).
What are the key properties of 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide?
2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide has a molecular weight of 382.83 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrofuran-5-sulfonamide is sourced from PubChem (CID 70792543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).