sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate

C109H110Cl5F6N18NaO15S3 — CID 160796417

About sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate

sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate (PubChem CID 160796417) has the molecular formula C109H110Cl5F6N18NaO15S3 and a molecular weight of 2322.63 g/mol. Its IUPAC name is sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate.

Molecular Properties

• Compound Name: sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate
• PubChem CID: 160796417
• Molecular Formula: C109H110Cl5F6N18NaO15S3
• Molecular Weight: 2322.63 g/mol
• Exact Mass: 2318.58
• IUPAC Name: sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate
• SMILES: CC(C)(C)[O-].CCN(CC)CC.CCN(CC)CC.Cc1ccc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1Cl.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C(=O)Nc4cc(NC(=O)c5ccc(CN)c(C(F)(F)F)c5)ccc4C)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C(=O)O)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C=O)cnc32)cc1.O=Cc1cnc2[nH]ccc2c1Cl.[Na+]
• InChI: InChI=1S/C31H25ClF3N5O4S.C24H19ClF3N5O2.C15H11ClN2O4S.C15H11ClN2O3S.C8H5ClN2O.2C6H15N.C4H9O.Na/c1-17-3-9-22(10-4-17)45(43,44)40-12-11-23-27(32)24(16-37-28(23)40)30(42)39-26-14-21(8-5-18(26)2)38-29(41)19-6-7-20(15-36)25(13-19)31(33,34)35;1-12-2-5-15(32-22(34)13-3-4-14(10-29)18(8-13)24(26,27)28)9-19(12)33-23(35)17-11-31-21-16(20(17)25)6-7-30-21;1-9-2-4-10(5-3-9)23(21,22)18-7-6-11-13(16)12(15(19)20)8-17-14(11)18;1-10-2-4-12(5-3-10)22(20,21)18-7-6-13-14(16)11(9-19)8-17-15(13)18;9-7-5(4-12)3-11-8-6(7)1-2-10-8;2*1-4-7(5-2)6-3;1-4(2,3)5;/h3-14,16H,15,36H2,1-2H3,(H,38,41)(H,39,42);2-9,11H,10,29H2,1H3,(H,30,31)(H,32,34)(H,33,35);2-8H,1H3,(H,19,20);2-9H,1H3;1-4H,(H,10,11);2*4-6H2,1-3H3;1-3H3;/q;;;;;;;-1;+1
• InChIKey: SCMRNYGNAKBXNC-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 482.66 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2322.63
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate?

The IUPAC name of sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate (CID 160796417) is sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate.

What is the SMILES notation for sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate?

The canonical SMILES for sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate is CC(C)(C)[O-].CCN(CC)CC.CCN(CC)CC.Cc1ccc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1Cl.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C(=O)Nc4cc(NC(=O)c5ccc(CN)c(C(F)(F)F)c5)ccc4C)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C(=O)O)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C=O)cnc32)cc1.O=Cc1cnc2[nH]ccc2c1Cl.[Na+].

What is the InChIKey of sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate?

The InChIKey is SCMRNYGNAKBXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClF3N5O4S.C24H19ClF3N5O2.C15H11ClN2O4S.C15H11ClN2O3S.C8H5ClN2O.2C6H15N.C4H9O.Na/c1-17-3-9-22(10-4-17)45(43,44)40-12-11-23-27(32)24(16-37-28(23)40)30(42)39-26-14-21(8-5-18(26)2)38-29(41)19-6-7-20(15-36)25(13-19)31(33,34)35;1-12-2-5-15(32-22(34)13-3-4-14(10-29)18(8-13)24(26,27)28)9-19(12)33-23(35)17-11-31-21-16(20(17)25)6-7-30-21;1-9-2-4-10(5-3-9)23(21,22)18-7-6-11-13(16)12(15(19)20)8-17-14(11)18;1-10-2-4-12(5-3-10)22(20,21)18-7-6-13-14(16)11(9-19)8-17-15(13)18;9-7-5(4-12)3-11-8-6(7)1-2-10-8;2*1-4-7(5-2)6-3;1-4(2,3)5;/h3-14,16H,15,36H2,1-2H3,(H,38,41)(H,39,42);2-9,11H,10,29H2,1H3,(H,30,31)(H,32,34)(H,33,35);2-8H,1H3,(H,19,20);2-9H,1H3;1-4H,(H,10,11);2*4-6H2,1-3H3;1-3H3;/q;;;;;;;-1;+1.

What are the key properties of sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate?

sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate has a molecular weight of 2322.63 g/mol, XLogP of 19.89, 25 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[5-[[4-(aminomethyl)-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;bis(N,N-diethylethanamine);2-methylpropan-2-olate is sourced from PubChem (CID 160796417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).