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

C16H8Br2Cl3N7O2S — CID 24803616

IUPACN-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1-c1nnc(Br)n1-c1[nH]ncc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H8Br2Cl3N7O2S/c17-9-6-23-24-14(9)28-15(25-26-16(28)18)13-12(3-7(19)5-22-13)27-31(29,30)8-1-2-10(20)11(21)4-8/h1-6,27H,(H,23,24)
InChIKeyWLIXWPBIQOBJGW-UHFFFAOYSA-N
MW628.52 g/mol
LogP5.34
Rot. Bonds5

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

N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide (PubChem CID 24803616) has the molecular formula C16H8Br2Cl3N7O2S and a molecular weight of 628.52 g/mol. Its IUPAC name is N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide
PubChem CID24803616
Molecular FormulaC16H8Br2Cl3N7O2S
Molecular Weight628.52 g/mol
Exact Mass624.79
IUPAC NameN-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1-c1nnc(Br)n1-c1[nH]ncc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H8Br2Cl3N7O2S/c17-9-6-23-24-14(9)28-15(25-26-16(28)18)13-12(3-7(19)5-22-13)27-31(29,30)8-1-2-10(20)11(21)4-8/h1-6,27H,(H,23,24)
InChIKeyWLIXWPBIQOBJGW-UHFFFAOYSA-N
XLogP5.34
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.52
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide (CID 24803616) is N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)cnc1-c1nnc(Br)n1-c1[nH]ncc1Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide?
The InChIKey is WLIXWPBIQOBJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2Cl3N7O2S/c17-9-6-23-24-14(9)28-15(25-26-16(28)18)13-12(3-7(19)5-22-13)27-31(29,30)8-1-2-10(20)11(21)4-8/h1-6,27H,(H,23,24).
What are the key properties of N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide?
N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide has a molecular weight of 628.52 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 24803616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).