3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane

C35H34Cl6N14O8S2 — CID 158614957

About 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane

3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane (PubChem CID 158614957) has the molecular formula C35H34Cl6N14O8S2 and a molecular weight of 1055.60 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane
• PubChem CID: 158614957
• Molecular Formula: C35H34Cl6N14O8S2
• Molecular Weight: 1055.60 g/mol
• Exact Mass: 1052.03
• IUPAC Name: 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane
• SMILES: COC(OC)OC.NNC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.Nc1ccn[nH]1.O=S(=O)(Nc1cc(Cl)cnc1-c1nncn1-c1ccn[nH]1)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C16H10Cl3N7O2S.C12H9Cl3N4O3S.C4H10O3.C3H5N3/c17-9-5-13(25-29(27,28)10-1-2-11(18)12(19)6-10)15(20-7-9)16-24-22-8-26(16)14-3-4-21-23-14;13-6-3-10(11(17-5-6)12(20)18-16)19-23(21,22)7-1-2-8(14)9(15)4-7;1-5-4(6-2)7-3;4-3-1-2-5-6-3/h1-8,25H,(H,21,23);1-5,19H,16H2,(H,18,20);4H,1-3H3;1-2H,(H3,4,5,6)
• InChIKey: HXGWUXVZOKKFFY-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 315.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1055.60
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane?

The IUPAC name of 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane (CID 158614957) is 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane.

What is the SMILES notation for 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane?

The canonical SMILES for 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane is COC(OC)OC.NNC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.Nc1ccn[nH]1.O=S(=O)(Nc1cc(Cl)cnc1-c1nncn1-c1ccn[nH]1)c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane?

The InChIKey is HXGWUXVZOKKFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N7O2S.C12H9Cl3N4O3S.C4H10O3.C3H5N3/c17-9-5-13(25-29(27,28)10-1-2-11(18)12(19)6-10)15(20-7-9)16-24-22-8-26(16)14-3-4-21-23-14;13-6-3-10(11(17-5-6)12(20)18-16)19-23(21,22)7-1-2-8(14)9(15)4-7;1-5-4(6-2)7-3;4-3-1-2-5-6-3/h1-8,25H,(H,21,23);1-5,19H,16H2,(H,18,20);4H,1-3H3;1-2H,(H3,4,5,6).

What are the key properties of 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane?

3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane has a molecular weight of 1055.60 g/mol, XLogP of 6.46, 12 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide;1H-pyrazol-5-amine;trimethoxymethane is sourced from PubChem (CID 158614957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).