tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate

C113H148N26Na4O19S5 — CID 167639261

About tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate

tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate (PubChem CID 167639261) has the molecular formula C113H148N26Na4O19S5 and a molecular weight of 2426.88 g/mol. Its IUPAC name is tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate.

Molecular Properties

• Compound Name: tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate
• PubChem CID: 167639261
• Molecular Formula: C113H148N26Na4O19S5
• Molecular Weight: 2426.88 g/mol
• Exact Mass: 2424.96
• IUPAC Name: tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate
• SMILES: CCn1cc(N(C2CCN(C)CC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.CCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.Cc1c(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cnn1C.Cn1cc(N(C2CCOC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.Cn1ccc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)n1.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C24H34N6O3S.2C23H31N5O4S.C22H29N5O4S.C21H27N5O4S.4Na/c1-3-29-16-20(15-25-29)30(19-10-12-28(2)13-11-19)34(32,33)27-24(31)26-23-21-8-4-6-17(21)14-18-7-5-9-22(18)23;1-15-21(14-24-27(15)2)28(18-9-11-32-12-10-18)33(30,31)26-23(29)25-22-19-7-3-5-16(19)13-17-6-4-8-20(17)22;1-2-27-15-19(14-24-27)28(18-9-11-32-12-10-18)33(30,31)26-23(29)25-22-20-7-3-5-16(20)13-17-6-4-8-21(17)22;1-26-11-8-20(24-26)27(17-9-12-31-13-10-17)32(29,30)25-22(28)23-21-18-6-2-4-15(18)14-16-5-3-7-19(16)21;1-25-12-17(11-22-25)26(16-8-9-30-13-16)31(28,29)24-21(27)23-20-18-6-2-4-14(18)10-15-5-3-7-19(15)20;;;;/h14-16,19H,3-13H2,1-2H3,(H2,26,27,31);13-14,18H,3-12H2,1-2H3,(H2,25,26,29);13-15,18H,2-12H2,1H3,(H2,25,26,29);8,11,14,17H,2-7,9-10,12-13H2,1H3,(H2,23,25,28);10-12,16H,2-9,13H2,1H3,(H2,23,24,27);;;;/q;;;;;4*+1/p-4
• InChIKey: FEDMBQVRRRFDHK-UHFFFAOYSA-J
• XLogP: -2.91
• TPSA: 547.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2426.88
LogP ≤ 5	-2.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate?

The IUPAC name of tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate (CID 167639261) is tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate.

What is the SMILES notation for tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate?

The canonical SMILES for tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate is CCn1cc(N(C2CCN(C)CC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.CCn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.Cc1c(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cnn1C.Cn1cc(N(C2CCOC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.Cn1ccc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)n1.[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate?

The InChIKey is FEDMBQVRRRFDHK-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H34N6O3S.2C23H31N5O4S.C22H29N5O4S.C21H27N5O4S.4Na/c1-3-29-16-20(15-25-29)30(19-10-12-28(2)13-11-19)34(32,33)27-24(31)26-23-21-8-4-6-17(21)14-18-7-5-9-22(18)23;1-15-21(14-24-27(15)2)28(18-9-11-32-12-10-18)33(30,31)26-23(29)25-22-19-7-3-5-16(19)13-17-6-4-8-20(17)22;1-2-27-15-19(14-24-27)28(18-9-11-32-12-10-18)33(30,31)26-23(29)25-22-20-7-3-5-16(20)13-17-6-4-8-21(17)22;1-26-11-8-20(24-26)27(17-9-12-31-13-10-17)32(29,30)25-22(28)23-21-18-6-2-4-15(18)14-16-5-3-7-19(16)21;1-25-12-17(11-22-25)26(16-8-9-30-13-16)31(28,29)24-21(27)23-20-18-6-2-4-14(18)10-15-5-3-7-19(15)20;;;;/h14-16,19H,3-13H2,1-2H3,(H2,26,27,31);13-14,18H,3-12H2,1-2H3,(H2,25,26,29);13-15,18H,2-12H2,1H3,(H2,25,26,29);8,11,14,17H,2-7,9-10,12-13H2,1H3,(H2,23,25,28);10-12,16H,2-9,13H2,1H3,(H2,23,24,27);;;;/q;;;;;4*+1/p-4.

What are the key properties of tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate?

tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate has a molecular weight of 2426.88 g/mol, XLogP of -2.91, 27 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;N'-[(1,5-dimethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;1-[(1-ethylpyrazol-4-yl)-(1-methylpiperidin-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N'-[(1-ethylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-3-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxolan-3-yl)sulfamoyl]carbamimidate is sourced from PubChem (CID 167639261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).