4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H14N4O2S2 — CID 135883351

IUPAC4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H14N4O2S2/c23-26(24,22-18-19-9-10-25-18)15-7-5-14(6-8-15)20-11-13-12-21-17-4-2-1-3-16(13)17/h1-12,21H,(H,19,22)/b20-11+
InChIKeyNTOLWOIOCZZKKZ-RGVLZGJSSA-N
MW382.47 g/mol
LogP4.18
Rot. Bonds5

About 4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 135883351) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID135883351
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC Name4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H14N4O2S2/c23-26(24,22-18-19-9-10-25-18)15-7-5-14(6-8-15)20-11-13-12-21-17-4-2-1-3-16(13)17/h1-12,21H,(H,19,22)/b20-11+
InChIKeyNTOLWOIOCZZKKZ-RGVLZGJSSA-N
XLogP4.18
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 135883351) is 4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is NTOLWOIOCZZKKZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c23-26(24,22-18-19-9-10-25-18)15-7-5-14(6-8-15)20-11-13-12-21-17-4-2-1-3-16(13)17/h1-12,21H,(H,19,22)/b20-11+.
What are the key properties of 4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 382.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethylideneamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 135883351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).