4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide

C17H18N4O3S — CID 135434994

IUPAC4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCC(C)c1ccc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1
InChIInChI=1S/C17H18N4O3S/c1-10(2)11-3-8-14-15(9-11)19-17(22)16(14)21-20-12-4-6-13(7-5-12)25(18,23)24/h3-10,19,22H,1-2H3,(H2,18,23,24)/b21-20+
InChIKeyBXOSDELNTKJOFY-QZQOTICOSA-N
MW358.42 g/mol
LogP4.06
Rot. Bonds4

About 4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide

4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434994) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434994
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCC(C)c1ccc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1
InChIInChI=1S/C17H18N4O3S/c1-10(2)11-3-8-14-15(9-11)19-17(22)16(14)21-20-12-4-6-13(7-5-12)25(18,23)24/h3-10,19,22H,1-2H3,(H2,18,23,24)/b21-20+
InChIKeyBXOSDELNTKJOFY-QZQOTICOSA-N
XLogP4.06
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434994) is 4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide is CC(C)c1ccc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1.
What is the InChIKey of 4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is BXOSDELNTKJOFY-QZQOTICOSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10(2)11-3-8-14-15(9-11)19-17(22)16(14)21-20-12-4-6-13(7-5-12)25(18,23)24/h3-10,19,22H,1-2H3,(H2,18,23,24)/b21-20+.
What are the key properties of 4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-6-propan-2-yl-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).