4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide

C40H32Cl4F6N14O6S2 — CID 158832923

IUPAC4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide
SMILESNNC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccn[nH]1)C1CC1.O=S(=O)(Nc1cc(Cl)cnc1-c1nnc(C2CC2)n1-c1ccn[nH]1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H14Cl2F3N7O2S.C13H9Cl2F3N4O3S.C7H9N3O/c21-11-7-15(31-35(33,34)12-3-4-14(22)13(8-12)20(23,24)25)17(26-9-11)19-30-29-18(10-1-2-10)32(19)16-5-6-27-28-16;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;11-7(5-1-2-5)9-6-3-4-8-10-6/h3-10,31H,1-2H2,(H,27,28);1-5,22H,19H2,(H,21,23);3-5H,1-2H2,(H2,8,9,10,11)
InChIKeyIXGSIPDHRTUTDX-UHFFFAOYSA-N
MW1124.72 g/mol
LogP8.63
Rot. Bonds12

About 4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide

4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide (PubChem CID 158832923) has the molecular formula C40H32Cl4F6N14O6S2 and a molecular weight of 1124.72 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide
PubChem CID158832923
Molecular FormulaC40H32Cl4F6N14O6S2
Molecular Weight1124.72 g/mol
Exact Mass1122.07
IUPAC Name4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide
SMILESNNC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccn[nH]1)C1CC1.O=S(=O)(Nc1cc(Cl)cnc1-c1nnc(C2CC2)n1-c1ccn[nH]1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H14Cl2F3N7O2S.C13H9Cl2F3N4O3S.C7H9N3O/c21-11-7-15(31-35(33,34)12-3-4-14(22)13(8-12)20(23,24)25)17(26-9-11)19-30-29-18(10-1-2-10)32(19)16-5-6-27-28-16;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;11-7(5-1-2-5)9-6-3-4-8-10-6/h3-10,31H,1-2H2,(H,27,28);1-5,22H,19H2,(H,21,23);3-5H,1-2H2,(H2,8,9,10,11)
InChIKeyIXGSIPDHRTUTDX-UHFFFAOYSA-N
XLogP8.63
TPSA290.41 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001124.72
LogP ≤ 58.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'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-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide with MolForge

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Related Compounds

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
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
N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 24803290
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 143610129
4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24803453
5-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-methyl-2-pyridinyl]-4-phenyl-1,2,4-triazole-3-carboxamide
CID 24804929
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
4-chloro-N-[5-chloro-2-(5-chloro-2-pyrazol-1-ylpyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 59224616
4-chloro-N-[5-chloro-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 58268198
3-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]-1,2,4-triazol-4-yl]-4-methoxypyrrolidine-1-carboxylic acid
CID 143610134

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide (CID 158832923) is 4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide is NNC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccn[nH]1)C1CC1.O=S(=O)(Nc1cc(Cl)cnc1-c1nnc(C2CC2)n1-c1ccn[nH]1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide?
The InChIKey is IXGSIPDHRTUTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F3N7O2S.C13H9Cl2F3N4O3S.C7H9N3O/c21-11-7-15(31-35(33,34)12-3-4-14(22)13(8-12)20(23,24)25)17(26-9-11)19-30-29-18(10-1-2-10)32(19)16-5-6-27-28-16;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;11-7(5-1-2-5)9-6-3-4-8-10-6/h3-10,31H,1-2H2,(H,27,28);1-5,22H,19H2,(H,21,23);3-5H,1-2H2,(H2,8,9,10,11).
What are the key properties of 4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide?
4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide has a molecular weight of 1124.72 g/mol, XLogP of 8.63, 12 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-(1H-pyrazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 158832923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).