4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane

C33H37Cl3F6N12O12S3 — CID 158095026

About 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane

4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane (PubChem CID 158095026) has the molecular formula C33H37Cl3F6N12O12S3 and a molecular weight of 1110.28 g/mol. Its IUPAC name is 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane.

Molecular Properties

• Compound Name: 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane
• PubChem CID: 158095026
• Molecular Formula: C33H37Cl3F6N12O12S3
• Molecular Weight: 1110.28 g/mol
• Exact Mass: 1108.08
• IUPAC Name: 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane
• SMILES: C.CC.CS(=O)(=O)N(c1nn(CC(F)F)c2c([N+](=O)[O-])ccc(Cl)c12)S(C)(=O)=O.CS(=O)(=O)Nc1nn(CC(F)F)c2c([N+](=O)[O-])ccc(Cl)c12.Nc1nn(CC(F)F)c2c([N+](=O)[O-])ccc(Cl)c12
• InChI: InChI=1S/C11H11ClF2N4O6S2.C10H9ClF2N4O4S.C9H7ClF2N4O2.C2H6.CH4/c1-25(21,22)18(26(2,23)24)11-9-6(12)3-4-7(17(19)20)10(9)16(15-11)5-8(13)14;1-22(20,21)15-10-8-5(11)2-3-6(17(18)19)9(8)16(14-10)4-7(12)13;10-4-1-2-5(16(17)18)8-7(4)9(13)14-15(8)3-6(11)12;1-2;/h3-4,8H,5H2,1-2H3;2-3,7H,4H2,1H3,(H,14,15);1-2,6H,3H2,(H2,13,14);1-2H3;1H4
• InChIKey: FOOISVSWTIMIOY-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 326.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1110.28
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane?

The IUPAC name of 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane (CID 158095026) is 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane.

What is the SMILES notation for 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane?

The canonical SMILES for 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane is C.CC.CS(=O)(=O)N(c1nn(CC(F)F)c2c([N+](=O)[O-])ccc(Cl)c12)S(C)(=O)=O.CS(=O)(=O)Nc1nn(CC(F)F)c2c([N+](=O)[O-])ccc(Cl)c12.Nc1nn(CC(F)F)c2c([N+](=O)[O-])ccc(Cl)c12.

What is the InChIKey of 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane?

The InChIKey is FOOISVSWTIMIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N4O6S2.C10H9ClF2N4O4S.C9H7ClF2N4O2.C2H6.CH4/c1-25(21,22)18(26(2,23)24)11-9-6(12)3-4-7(17(19)20)10(9)16(15-11)5-8(13)14;1-22(20,21)15-10-8-5(11)2-3-6(17(18)19)9(8)16(14-10)4-7(12)13;10-4-1-2-5(16(17)18)8-7(4)9(13)14-15(8)3-6(11)12;1-2;/h3-4,8H,5H2,1-2H3;2-3,7H,4H2,1H3,(H,14,15);1-2,6H,3H2,(H2,13,14);1-2H3;1H4.

What are the key properties of 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane?

4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane has a molecular weight of 1110.28 g/mol, XLogP of 7.93, 14 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide;ethane;methane is sourced from PubChem (CID 158095026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).