(3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate

C13H7Cl3N2O3S — CID 22567348

IUPAC(3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate
SMILESO=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C13H7Cl3N2O3S/c14-10-3-1-7(5-11(10)15)21-22(19,20)8-2-4-12-9(6-8)13(16)18-17-12/h1-6H,(H,17,18)
InChIKeyRBTYQJXSZSJHJE-UHFFFAOYSA-N
MW377.64 g/mol
LogP4.29
Rot. Bonds3

About (3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate

(3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate (PubChem CID 22567348) has the molecular formula C13H7Cl3N2O3S and a molecular weight of 377.64 g/mol. Its IUPAC name is (3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate
PubChem CID22567348
Molecular FormulaC13H7Cl3N2O3S
Molecular Weight377.64 g/mol
Exact Mass375.92
IUPAC Name(3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate
SMILESO=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C13H7Cl3N2O3S/c14-10-3-1-7(5-11(10)15)21-22(19,20)8-2-4-12-9(6-8)13(16)18-17-12/h1-6H,(H,17,18)
InChIKeyRBTYQJXSZSJHJE-UHFFFAOYSA-N
XLogP4.29
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.64
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(3,4-dichlorophenyl) 3-benzamido-1H-indazole-5-sulfonate
CID 22567407
(3,4-dichlorophenyl) 6-chloropyridine-3-sulfonate
CID 26948063
3-chloro-5-(difluoromethoxy)-2H-indazole
CID 76846077
N-(3,4-dichlorophenyl)-3-methyl-2H-indazole-5-sulfonamide
CID 22567293
(3-chloro-4-methylphenyl) 4-amino-3-nitrobenzenesulfonate
CID 23347914
(4-pyridin-2-yloxyphenyl) 3,4-dichlorobenzenesulfonate
CID 24656910
(4-methoxyphenyl) 3-amino-4-chlorobenzenesulfonate
CID 54523118
(3,4-dichlorophenyl) 2-methyl-3-nitrobenzenesulfonate
CID 35293704
(3,4-dichlorophenyl) 4-bromo-2,5-dichlorothiophene-3-sulfonate
CID 2805405
(4-chloro-3-methylphenyl) benzenesulfonate
CID 26948597
(4-amino-3-nitrophenyl) 4-chloro-3-methylbenzenesulfonate
CID 21386594
3-iodo-2H-indazole-5-sulfonic acid
CID 91245688

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate?
The IUPAC name of (3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate (CID 22567348) is (3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate.
What is the SMILES notation for (3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate?
The canonical SMILES for (3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate is O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc2n[nH]c(Cl)c2c1.
What is the InChIKey of (3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate?
The InChIKey is RBTYQJXSZSJHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3S/c14-10-3-1-7(5-11(10)15)21-22(19,20)8-2-4-12-9(6-8)13(16)18-17-12/h1-6H,(H,17,18).
What are the key properties of (3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate?
(3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate has a molecular weight of 377.64 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate is sourced from PubChem (CID 22567348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).