4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide

C20H16N4O2S — CID 135860246

IUPAC4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H16N4O2S/c25-27(26,24-20-7-3-4-12-21-20)17-10-8-16(9-11-17)22-13-15-14-23-19-6-2-1-5-18(15)19/h1-14,23H,(H,21,24)/b22-13+
InChIKeySYBCKAPBTDRLAB-LPYMAVHISA-N
MW376.44 g/mol
LogP4.11
Rot. Bonds5

About 4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide

4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 135860246) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID135860246
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H16N4O2S/c25-27(26,24-20-7-3-4-12-21-20)17-10-8-16(9-11-17)22-13-15-14-23-19-6-2-1-5-18(15)19/h1-14,23H,(H,21,24)/b22-13+
InChIKeySYBCKAPBTDRLAB-LPYMAVHISA-N
XLogP4.11
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide (CID 135860246) is 4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is SYBCKAPBTDRLAB-LPYMAVHISA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-27(26,24-20-7-3-4-12-21-20)17-10-8-16(9-11-17)22-13-15-14-23-19-6-2-1-5-18(15)19/h1-14,23H,(H,21,24)/b22-13+.
What are the key properties of 4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide?
4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 135860246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).