dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate

C43H48Cl2F4K2N8O13S2 — CID 164972639

IUPACdipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate
SMILESC.CCc1ccc(OC)cc1.COc1ccc(CN(c2nn(CC(F)F)c3c([N+](=O)[O-])ccc(Cl)c23)S(=O)(=O)C2CC2)cc1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)c2c(NS(=O)(=O)C3CC3)nn(CC(F)F)c12.[H-].[K+].[K+]
InChIInChI=1S/C20H19ClF2N4O5S.C12H11ClF2N4O4S.C9H12O.CH2O3.CH4.2K.H/c1-32-13-4-2-12(3-5-13)10-26(33(30,31)14-6-7-14)20-18-15(21)8-9-16(27(28)29)19(18)25(24-20)11-17(22)23;13-7-3-4-8(19(20)21)11-10(7)12(16-18(11)5-9(14)15)17-24(22,23)6-1-2-6;1-3-8-4-6-9(10-2)7-5-8;2-1-4-3;;;;/h2-5,8-9,14,17H,6-7,10-11H2,1H3;3-4,6,9H,1-2,5H2,(H,16,17);4-7H,3H2,1-2H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1
InChIKeyNDUSTNWSNSVYBF-UHFFFAOYSA-M
MW1174.13 g/mol
LogP2.59
Rot. Bonds18

About dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate

dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate (PubChem CID 164972639) has the molecular formula C43H48Cl2F4K2N8O13S2 and a molecular weight of 1174.13 g/mol. Its IUPAC name is dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate.

Molecular Properties

Compound Namedipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate
PubChem CID164972639
Molecular FormulaC43H48Cl2F4K2N8O13S2
Molecular Weight1174.13 g/mol
Exact Mass1172.14
IUPAC Namedipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate
SMILESC.CCc1ccc(OC)cc1.COc1ccc(CN(c2nn(CC(F)F)c3c([N+](=O)[O-])ccc(Cl)c23)S(=O)(=O)C2CC2)cc1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)c2c(NS(=O)(=O)C3CC3)nn(CC(F)F)c12.[H-].[K+].[K+]
InChIInChI=1S/C20H19ClF2N4O5S.C12H11ClF2N4O4S.C9H12O.CH2O3.CH4.2K.H/c1-32-13-4-2-12(3-5-13)10-26(33(30,31)14-6-7-14)20-18-15(21)8-9-16(27(28)29)19(18)25(24-20)11-17(22)23;13-7-3-4-8(19(20)21)11-10(7)12(16-18(11)5-9(14)15)17-24(22,23)6-1-2-6;1-3-8-4-6-9(10-2)7-5-8;2-1-4-3;;;;/h2-5,8-9,14,17H,6-7,10-11H2,1H3;3-4,6,9H,1-2,5H2,(H,16,17);4-7H,3H2,1-2H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1
InChIKeyNDUSTNWSNSVYBF-UHFFFAOYSA-M
XLogP2.59
TPSA273.29 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.13
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate?
The IUPAC name of dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate (CID 164972639) is dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate.
What is the SMILES notation for dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate?
The canonical SMILES for dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate is C.CCc1ccc(OC)cc1.COc1ccc(CN(c2nn(CC(F)F)c3c([N+](=O)[O-])ccc(Cl)c23)S(=O)(=O)C2CC2)cc1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)c2c(NS(=O)(=O)C3CC3)nn(CC(F)F)c12.[H-].[K+].[K+].
What is the InChIKey of dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate?
The InChIKey is NDUSTNWSNSVYBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19ClF2N4O5S.C12H11ClF2N4O4S.C9H12O.CH2O3.CH4.2K.H/c1-32-13-4-2-12(3-5-13)10-26(33(30,31)14-6-7-14)20-18-15(21)8-9-16(27(28)29)19(18)25(24-20)11-17(22)23;13-7-3-4-8(19(20)21)11-10(7)12(16-18(11)5-9(14)15)17-24(22,23)6-1-2-6;1-3-8-4-6-9(10-2)7-5-8;2-1-4-3;;;;/h2-5,8-9,14,17H,6-7,10-11H2,1H3;3-4,6,9H,1-2,5H2,(H,16,17);4-7H,3H2,1-2H3;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate?
dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate has a molecular weight of 1174.13 g/mol, XLogP of 2.59, 18 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate is sourced from PubChem (CID 164972639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).