2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C22H18N4O4S — CID 1103932

IUPAC2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C22H18N4O4S/c27-20(24-25-21-18-13-7-8-14-19(18)23-22(21)28)15-26(16-9-3-1-4-10-16)31(29,30)17-11-5-2-6-12-17/h1-14,23,28H,15H2/b25-24+
InChIKeyLSAKFUNPVAQUBZ-OCOZRVBESA-N
MW434.48 g/mol
LogP4.38
Rot. Bonds6

About 2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 1103932) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID1103932
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C22H18N4O4S/c27-20(24-25-21-18-13-7-8-14-19(18)23-22(21)28)15-26(16-9-3-1-4-10-16)31(29,30)17-11-5-2-6-12-17/h1-14,23,28H,15H2/b25-24+
InChIKeyLSAKFUNPVAQUBZ-OCOZRVBESA-N
XLogP4.38
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
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 2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 1103932) is 2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is LSAKFUNPVAQUBZ-OCOZRVBESA-N. The full InChI is InChI=1S/C22H18N4O4S/c27-20(24-25-21-18-13-7-8-14-19(18)23-22(21)28)15-26(16-9-3-1-4-10-16)31(29,30)17-11-5-2-6-12-17/h1-14,23,28H,15H2/b25-24+.
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 434.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 1103932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).