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

C17H10Cl2F3N7O2S — CID 24803453

IUPAC4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1-c1nncn1-c1cn[nH]c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H10Cl2F3N7O2S/c18-9-3-14(15(23-5-9)16-27-26-8-29(16)10-6-24-25-7-10)28-32(30,31)11-1-2-13(19)12(4-11)17(20,21)22/h1-8,28H,(H,24,25)
InChIKeyRLTLCLAXQQFSBJ-UHFFFAOYSA-N
MW504.28 g/mol
LogP4.18
Rot. Bonds5

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

4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 24803453) has the molecular formula C17H10Cl2F3N7O2S and a molecular weight of 504.28 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID24803453
Molecular FormulaC17H10Cl2F3N7O2S
Molecular Weight504.28 g/mol
Exact Mass502.99
IUPAC Name4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1-c1nncn1-c1cn[nH]c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H10Cl2F3N7O2S/c18-9-3-14(15(23-5-9)16-27-26-8-29(16)10-6-24-25-7-10)28-32(30,31)11-1-2-13(19)12(4-11)17(20,21)22/h1-8,28H,(H,24,25)
InChIKeyRLTLCLAXQQFSBJ-UHFFFAOYSA-N
XLogP4.18
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.28
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 24803290
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
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
4-chloro-N-[5-chloro-2-[5-[(dimethylamino)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;dimethyl(methylidene)azanium
CID 159443290
4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide
CID 87190669
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
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-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
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
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
bis[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-oxophosphanium
CID 88537963

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 24803453) is 4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)cnc1-c1nncn1-c1cn[nH]c1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RLTLCLAXQQFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N7O2S/c18-9-3-14(15(23-5-9)16-27-26-8-29(16)10-6-24-25-7-10)28-32(30,31)11-1-2-13(19)12(4-11)17(20,21)22/h1-8,28H,(H,24,25).
What are the key properties of 4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 504.28 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24803453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).