sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide

C34H39N12NaO8S4 — CID 157440190

About sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide

sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide (PubChem CID 157440190) has the molecular formula C34H39N12NaO8S4 and a molecular weight of 895.02 g/mol. Its IUPAC name is sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide.

Molecular Properties

• Compound Name: sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide
• PubChem CID: 157440190
• Molecular Formula: C34H39N12NaO8S4
• Molecular Weight: 895.02 g/mol
• Exact Mass: 894.18
• IUPAC Name: sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide
• SMILES: CC(=O)OCCc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(-c2ncc(CCO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[Na+].[OH-]
• InChI: InChI=1S/C18H20N6O4S2.C16H18N6O3S2.Na.H2O/c1-10(25)28-7-6-12-9-20-18(14-4-5-16(29-14)30(19,26)27)22-17(12)21-15-8-13(23-24-15)11-2-3-11;17-27(24,25)14-4-3-12(26-14)16-18-8-10(5-6-23)15(20-16)19-13-7-11(21-22-13)9-1-2-9;;/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,19,26,27)(H2,20,21,22,23,24);3-4,7-9,23H,1-2,5-6H2,(H2,17,24,25)(H2,18,19,20,21,22);;1H2/q;;+1;/p-1
• InChIKey: BROUTVYXDVLYPK-UHFFFAOYSA-M
• XLogP: 0.86
• TPSA: 329.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	895.02
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide?

The IUPAC name of sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide (CID 157440190) is sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide.

What is the SMILES notation for sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide?

The canonical SMILES for sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide is CC(=O)OCCc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(-c2ncc(CCO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[Na+].[OH-].

What is the InChIKey of sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide?

The InChIKey is BROUTVYXDVLYPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H20N6O4S2.C16H18N6O3S2.Na.H2O/c1-10(25)28-7-6-12-9-20-18(14-4-5-16(29-14)30(19,26)27)22-17(12)21-15-8-13(23-24-15)11-2-3-11;17-27(24,25)14-4-3-12(26-14)16-18-8-10(5-6-23)15(20-16)19-13-7-11(21-22-13)9-1-2-9;;/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,19,26,27)(H2,20,21,22,23,24);3-4,7-9,23H,1-2,5-6H2,(H2,17,24,25)(H2,18,19,20,21,22);;1H2/q;;+1;/p-1.

What are the key properties of sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide?

sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide has a molecular weight of 895.02 g/mol, XLogP of 0.86, 15 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(2-hydroxyethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;hydroxide is sourced from PubChem (CID 157440190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).