N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide

C16H17N3O3S — CID 155555305

IUPACN-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc(O)c(C)c2)cc2[nH]ncc12
InChIInChI=1S/C16H17N3O3S/c1-3-23(21,22)19-15-8-12(7-14-13(15)9-17-18-14)11-4-5-16(20)10(2)6-11/h4-9,19-20H,3H2,1-2H3,(H,17,18)
InChIKeyMENIERHNRDOWRQ-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.01
Rot. Bonds4

About N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide

N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide (PubChem CID 155555305) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide
PubChem CID155555305
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc(O)c(C)c2)cc2[nH]ncc12
InChIInChI=1S/C16H17N3O3S/c1-3-23(21,22)19-15-8-12(7-14-13(15)9-17-18-14)11-4-5-16(20)10(2)6-11/h4-9,19-20H,3H2,1-2H3,(H,17,18)
InChIKeyMENIERHNRDOWRQ-UHFFFAOYSA-N
XLogP3.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide (CID 155555305) is N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2ccc(O)c(C)c2)cc2[nH]ncc12.
What is the InChIKey of N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The InChIKey is MENIERHNRDOWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-3-23(21,22)19-15-8-12(7-14-13(15)9-17-18-14)11-4-5-16(20)10(2)6-11/h4-9,19-20H,3H2,1-2H3,(H,17,18).
What are the key properties of N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide?
N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxy-3-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 155555305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).