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

C16H9BrCl3N7O2S — CID 24803454

IUPACN-[2-[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-c1nncn1-c1[nH]ncc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H9BrCl3N7O2S/c17-10-6-22-24-15(10)27-7-23-25-16(27)14-13(3-8(18)5-21-14)26-30(28,29)9-1-2-11(19)12(20)4-9/h1-7,26H,(H,22,24)
InChIKeyZHABSIKVUSRSKW-UHFFFAOYSA-N
MW549.63 g/mol
LogP4.58
Rot. Bonds5

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

N-[2-[4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide (PubChem CID 24803454) has the molecular formula C16H9BrCl3N7O2S and a molecular weight of 549.63 g/mol. Its IUPAC name is N-[2-[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-[4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide
PubChem CID24803454
Molecular FormulaC16H9BrCl3N7O2S
Molecular Weight549.63 g/mol
Exact Mass546.88
IUPAC NameN-[2-[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-c1nncn1-c1[nH]ncc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H9BrCl3N7O2S/c17-10-6-22-24-15(10)27-7-23-25-16(27)14-13(3-8(18)5-21-14)26-30(28,29)9-1-2-11(19)12(20)4-9/h1-7,26H,(H,22,24)
InChIKeyZHABSIKVUSRSKW-UHFFFAOYSA-N
XLogP4.58
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.63
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[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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Related Compounds

4-Chloro-N-[5-chloro-2-(4-(4-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24802775
4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24803288
4-chloro-N-[5-chloro-2-[5-propan-2-yl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24803289
N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]pyridin-3-yl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 24803290
4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24803292
4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24803452
4-Chloro-N-{5-chloro-2-[4-(1H-pyrazol-4-yl)-4H-[1,2,4]triazol-3-yl]-pyridin-3-yl}-3-trifluoromethyl-benzenesulfonamide
CID 24803453
N-[2-[4-(4-bromo-1H-pyrazol-5-yl)-5-methyl-1,2,4-triazol-3-yl]-5-chloropyridin-3-yl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 24803455
N-[2-[5-tert-butyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloropyridin-3-yl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 24803456
N-[2-[4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloropyridin-3-yl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 24803620
4-chloro-N-[5-chloro-2-[4-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24805264
4-chloro-N-[5-chloro-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 59216838

Frequently Asked Questions

What is the IUPAC name of N-[2-[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-[4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide (CID 24803454) is N-[2-[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-[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-[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-c1nncn1-c1[nH]ncc1Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide?
The InChIKey is ZHABSIKVUSRSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl3N7O2S/c17-10-6-22-24-15(10)27-7-23-25-16(27)14-13(3-8(18)5-21-14)26-30(28,29)9-1-2-11(19)12(20)4-9/h1-7,26H,(H,22,24).
What are the key properties of N-[2-[4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide?
N-[2-[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 549.63 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[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 24803454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).