N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide

C14H13N3O3S — CID 155544706

IUPACN-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc(O)cc2)cc2[nH]ncc12
InChIInChI=1S/C14H13N3O3S/c1-21(19,20)17-14-7-10(6-13-12(14)8-15-16-13)9-2-4-11(18)5-3-9/h2-8,17-18H,1H3,(H,15,16)
InChIKeyIORSPJDJAZSUDL-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.31
Rot. Bonds3

About N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide

N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide (PubChem CID 155544706) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
PubChem CID155544706
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc(O)cc2)cc2[nH]ncc12
InChIInChI=1S/C14H13N3O3S/c1-21(19,20)17-14-7-10(6-13-12(14)8-15-16-13)9-2-4-11(18)5-3-9/h2-8,17-18H,1H3,(H,15,16)
InChIKeyIORSPJDJAZSUDL-UHFFFAOYSA-N
XLogP2.31
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide (CID 155544706) is N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ccc(O)cc2)cc2[nH]ncc12.
What is the InChIKey of N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?
The InChIKey is IORSPJDJAZSUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-21(19,20)17-14-7-10(6-13-12(14)8-15-16-13)9-2-4-11(18)5-3-9/h2-8,17-18H,1H3,(H,15,16).
What are the key properties of N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?
N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 155544706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).