N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide

C14H12ClN3O3S — CID 71459614

IUPACN-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3n[nH]c(Cl)c23)cc1
InChIInChI=1S/C14H12ClN3O3S/c1-21-9-5-7-10(8-6-9)22(19,20)18-12-4-2-3-11-13(12)14(15)17-16-11/h2-8,18H,1H3,(H,16,17)
InChIKeyQXZQLHAFDBYWLQ-UHFFFAOYSA-N
MW337.79 g/mol
LogP3.03
Rot. Bonds4

About N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide

N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide (PubChem CID 71459614) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide
PubChem CID71459614
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC NameN-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3n[nH]c(Cl)c23)cc1
InChIInChI=1S/C14H12ClN3O3S/c1-21-9-5-7-10(8-6-9)22(19,20)18-12-4-2-3-11-13(12)14(15)17-16-11/h2-8,18H,1H3,(H,16,17)
InChIKeyQXZQLHAFDBYWLQ-UHFFFAOYSA-N
XLogP3.03
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide (CID 71459614) is N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3n[nH]c(Cl)c23)cc1.
What is the InChIKey of N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide?
The InChIKey is QXZQLHAFDBYWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c1-21-9-5-7-10(8-6-9)22(19,20)18-12-4-2-3-11-13(12)14(15)17-16-11/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide?
N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide has a molecular weight of 337.79 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71459614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).