4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine

C55H48Cl7F9N18O12S3 — CID 162012819

IUPAC4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine
SMILESC.COCC(=O)Cl.COCc1nnc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1-c1ccn[nH]1.COCc1nnc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)o1.NNC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Nc1ccn[nH]1
InChIInChI=1S/C19H14Cl2F3N7O3S.C16H11Cl2F3N4O4S.C13H9Cl2F3N4O3S.C3H5ClO2.C3H5N3.CH4/c1-34-9-16-28-29-18(31(16)15-4-5-26-27-15)17-14(6-10(20)8-25-17)30-35(32,33)11-2-3-13(21)12(7-11)19(22,23)24;1-28-7-13-23-24-15(29-13)14-12(4-8(17)6-22-14)25-30(26,27)9-2-3-11(18)10(5-9)16(19,20)21;14-6-3-10(11(20-5-6)12(23)21-19)22-26(24,25)7-1-2-9(15)8(4-7)13(16,17)18;1-6-2-3(4)5;4-3-1-2-5-6-3;/h2-8,30H,9H2,1H3,(H,26,27);2-6,25H,7H2,1H3;1-5,22H,19H2,(H,21,23);2H2,1H3;1-2H,(H3,4,5,6);1H4
InChIKeyYTRVYLAFTLNLAR-UHFFFAOYSA-N
MW1668.46 g/mol
LogP12.57
Rot. Bonds19

About 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine

4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine (PubChem CID 162012819) has the molecular formula C55H48Cl7F9N18O12S3 and a molecular weight of 1668.46 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine
PubChem CID162012819
Molecular FormulaC55H48Cl7F9N18O12S3
Molecular Weight1668.46 g/mol
Exact Mass1664.05
IUPAC Name4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine
SMILESC.COCC(=O)Cl.COCc1nnc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1-c1ccn[nH]1.COCc1nnc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)o1.NNC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Nc1ccn[nH]1
InChIInChI=1S/C19H14Cl2F3N7O3S.C16H11Cl2F3N4O4S.C13H9Cl2F3N4O3S.C3H5ClO2.C3H5N3.CH4/c1-34-9-16-28-29-18(31(16)15-4-5-26-27-15)17-14(6-10(20)8-25-17)30-35(32,33)11-2-3-13(21)12(7-11)19(22,23)24;1-28-7-13-23-24-15(29-13)14-12(4-8(17)6-22-14)25-30(26,27)9-2-3-11(18)10(5-9)16(19,20)21;14-6-3-10(11(20-5-6)12(23)21-19)22-26(24,25)7-1-2-9(15)8(4-7)13(16,17)18;1-6-2-3(4)5;4-3-1-2-5-6-3;/h2-8,30H,9H2,1H3,(H,26,27);2-6,25H,7H2,1H3;1-5,22H,19H2,(H,21,23);2H2,1H3;1-2H,(H3,4,5,6);1H4
InChIKeyYTRVYLAFTLNLAR-UHFFFAOYSA-N
XLogP12.57
TPSA430.07 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001668.46
LogP ≤ 512.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine?
The IUPAC name of 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine (CID 162012819) is 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine is C.COCC(=O)Cl.COCc1nnc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1-c1ccn[nH]1.COCc1nnc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)o1.NNC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Nc1ccn[nH]1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine?
The InChIKey is YTRVYLAFTLNLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N7O3S.C16H11Cl2F3N4O4S.C13H9Cl2F3N4O3S.C3H5ClO2.C3H5N3.CH4/c1-34-9-16-28-29-18(31(16)15-4-5-26-27-15)17-14(6-10(20)8-25-17)30-35(32,33)11-2-3-13(21)12(7-11)19(22,23)24;1-28-7-13-23-24-15(29-13)14-12(4-8(17)6-22-14)25-30(26,27)9-2-3-11(18)10(5-9)16(19,20)21;14-6-3-10(11(20-5-6)12(23)21-19)22-26(24,25)7-1-2-9(15)8(4-7)13(16,17)18;1-6-2-3(4)5;4-3-1-2-5-6-3;/h2-8,30H,9H2,1H3,(H,26,27);2-6,25H,7H2,1H3;1-5,22H,19H2,(H,21,23);2H2,1H3;1-2H,(H3,4,5,6);1H4.
What are the key properties of 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine?
4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine has a molecular weight of 1668.46 g/mol, XLogP of 12.57, 19 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane;2-methoxyacetyl chloride;1H-pyrazol-5-amine is sourced from PubChem (CID 162012819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).