4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate

C14H9ClN3O4S- — CID 7041976

IUPAC4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate
SMILESO=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C14H10ClN3O4S/c15-11-4-2-8(14(19)20)5-13(11)23(21,22)18-10-3-1-9-7-16-17-12(9)6-10/h1-7,18H,(H,16,17)(H,19,20)/p-1
InChIKeyAUWYHLQCORSBCN-UHFFFAOYSA-M
MW350.76 g/mol
LogP1.38
Rot. Bonds4

About 4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate

4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate (PubChem CID 7041976) has the molecular formula C14H9ClN3O4S- and a molecular weight of 350.76 g/mol. Its IUPAC name is 4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate
PubChem CID7041976
Molecular FormulaC14H9ClN3O4S-
Molecular Weight350.76 g/mol
Exact Mass350.00
IUPAC Name4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate
SMILESO=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C14H10ClN3O4S/c15-11-4-2-8(14(19)20)5-13(11)23(21,22)18-10-3-1-9-7-16-17-12(9)6-10/h1-7,18H,(H,16,17)(H,19,20)/p-1
InChIKeyAUWYHLQCORSBCN-UHFFFAOYSA-M
XLogP1.38
TPSA114.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(1H-indazol-6-yl)-4-methoxybenzenesulfonamide
CID 2242342
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
5-chloro-N-(1H-indazol-6-yl)thiophene-2-sulfonamide
CID 2444866
N-(1H-indazol-6-yl)sulfamoyl chloride
CID 84760699
2-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 2445035
N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2445030
N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
CID 2078539
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110731214
N-(1H-indazol-6-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008102
N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 100657277
N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 110757572

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate?
The IUPAC name of 4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate (CID 7041976) is 4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate.
What is the SMILES notation for 4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate?
The canonical SMILES for 4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate is O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of 4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate?
The InChIKey is AUWYHLQCORSBCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10ClN3O4S/c15-11-4-2-8(14(19)20)5-13(11)23(21,22)18-10-3-1-9-7-16-17-12(9)6-10/h1-7,18H,(H,16,17)(H,19,20)/p-1.
What are the key properties of 4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate?
4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate has a molecular weight of 350.76 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate is sourced from PubChem (CID 7041976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).