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

C17H18N4O4S — CID 135434971

IUPAC4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCC(C)Oc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C17H18N4O4S/c1-10(2)25-14-5-3-4-13-15(14)16(17(22)19-13)21-20-11-6-8-12(9-7-11)26(18,23)24/h3-10,19,22H,1-2H3,(H2,18,23,24)/b21-20+
InChIKeyKQQOVCCCJDXXLJ-QZQOTICOSA-N
MW374.42 g/mol
LogP3.72
Rot. Bonds5

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

4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434971) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434971
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCC(C)Oc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C17H18N4O4S/c1-10(2)25-14-5-3-4-13-15(14)16(17(22)19-13)21-20-11-6-8-12(9-7-11)26(18,23)24/h3-10,19,22H,1-2H3,(H2,18,23,24)/b21-20+
InChIKeyKQQOVCCCJDXXLJ-QZQOTICOSA-N
XLogP3.72
TPSA130.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434971) is 4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is CC(C)Oc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12.
What is the InChIKey of 4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is KQQOVCCCJDXXLJ-QZQOTICOSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-10(2)25-14-5-3-4-13-15(14)16(17(22)19-13)21-20-11-6-8-12(9-7-11)26(18,23)24/h3-10,19,22H,1-2H3,(H2,18,23,24)/b21-20+.
What are the key properties of 4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-propan-2-yloxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).