N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide

C15H14ClN3O3S — CID 155541475

IUPACN-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc(O)c(Cl)c2)cc2[nH]ncc12
InChIInChI=1S/C15H14ClN3O3S/c1-2-23(21,22)19-14-7-10(6-13-11(14)8-17-18-13)9-3-4-15(20)12(16)5-9/h3-8,19-20H,2H2,1H3,(H,17,18)
InChIKeyAOHRFLGUXHZIPP-UHFFFAOYSA-N
MW351.82 g/mol
LogP3.35
Rot. Bonds4

About N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide

N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide (PubChem CID 155541475) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
PubChem CID155541475
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC NameN-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc(O)c(Cl)c2)cc2[nH]ncc12
InChIInChI=1S/C15H14ClN3O3S/c1-2-23(21,22)19-14-7-10(6-13-11(14)8-17-18-13)9-3-4-15(20)12(16)5-9/h3-8,19-20H,2H2,1H3,(H,17,18)
InChIKeyAOHRFLGUXHZIPP-UHFFFAOYSA-N
XLogP3.35
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide (CID 155541475) is N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2ccc(O)c(Cl)c2)cc2[nH]ncc12.
What is the InChIKey of N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The InChIKey is AOHRFLGUXHZIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-2-23(21,22)19-14-7-10(6-13-11(14)8-17-18-13)9-3-4-15(20)12(16)5-9/h3-8,19-20H,2H2,1H3,(H,17,18).
What are the key properties of N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide has a molecular weight of 351.82 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 155541475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).