N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide

C16H16ClN3O4S — CID 71454169

IUPACN-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2c(Cl)[nH]nc12
InChIInChI=1S/C16H16ClN3O4S/c1-3-24-13-9-8-12(14-15(13)18-19-16(14)17)20-25(21,22)11-6-4-10(23-2)5-7-11/h4-9,20H,3H2,1-2H3,(H,18,19)
InChIKeyCSOIHXYBANEEFI-UHFFFAOYSA-N
MW381.84 g/mol
LogP3.42
Rot. Bonds6

About N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide

N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide (PubChem CID 71454169) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide
PubChem CID71454169
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC NameN-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2c(Cl)[nH]nc12
InChIInChI=1S/C16H16ClN3O4S/c1-3-24-13-9-8-12(14-15(13)18-19-16(14)17)20-25(21,22)11-6-4-10(23-2)5-7-11/h4-9,20H,3H2,1-2H3,(H,18,19)
InChIKeyCSOIHXYBANEEFI-UHFFFAOYSA-N
XLogP3.42
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide (CID 71454169) is N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2c(Cl)[nH]nc12.
What is the InChIKey of N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide?
The InChIKey is CSOIHXYBANEEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-3-24-13-9-8-12(14-15(13)18-19-16(14)17)20-25(21,22)11-6-4-10(23-2)5-7-11/h4-9,20H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide?
N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide has a molecular weight of 381.84 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71454169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).