3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide

C19H15ClN4O3S2 — CID 135971735

IUPAC3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc2[nH]c(O)c(/N=N/c3ccccc3Cl)c2c1
InChIInChI=1S/C19H15ClN4O3S2/c20-15-5-1-2-6-17(15)23-24-18-14-10-13(7-8-16(14)22-19(18)25)29(26,27)21-11-12-4-3-9-28-12/h1-10,21-22,25H,11H2/b24-23+
InChIKeyQYOUFLDRIPMXND-WCWDXBQESA-N
MW446.94 g/mol
LogP5.48
Rot. Bonds6

About 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide

3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide (PubChem CID 135971735) has the molecular formula C19H15ClN4O3S2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
PubChem CID135971735
Molecular FormulaC19H15ClN4O3S2
Molecular Weight446.94 g/mol
Exact Mass446.03
IUPAC Name3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc2[nH]c(O)c(/N=N/c3ccccc3Cl)c2c1
InChIInChI=1S/C19H15ClN4O3S2/c20-15-5-1-2-6-17(15)23-24-18-14-10-13(7-8-16(14)22-19(18)25)29(26,27)21-11-12-4-3-9-28-12/h1-10,21-22,25H,11H2/b24-23+
InChIKeyQYOUFLDRIPMXND-WCWDXBQESA-N
XLogP5.48
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.48
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 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide (CID 135971735) is 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide is O=S(=O)(NCc1cccs1)c1ccc2[nH]c(O)c(/N=N/c3ccccc3Cl)c2c1.
What is the InChIKey of 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide?
The InChIKey is QYOUFLDRIPMXND-WCWDXBQESA-N. The full InChI is InChI=1S/C19H15ClN4O3S2/c20-15-5-1-2-6-17(15)23-24-18-14-10-13(7-8-16(14)22-19(18)25)29(26,27)21-11-12-4-3-9-28-12/h1-10,21-22,25H,11H2/b24-23+.
What are the key properties of 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide?
3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide has a molecular weight of 446.94 g/mol, XLogP of 5.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 135971735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).