4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide

C20H17BrN4O3S — CID 3906928

IUPAC4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccnc1
InChIInChI=1S/C20H17BrN4O3S/c1-14(16-3-2-12-22-13-16)23-24-20(26)15-4-8-18(9-5-15)25-29(27,28)19-10-6-17(21)7-11-19/h2-13,25H,1H3,(H,24,26)
InChIKeyUAADTSZWPSMKCV-UHFFFAOYSA-N
MW473.35 g/mol
LogP3.80
Rot. Bonds6

About 4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide

4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide (PubChem CID 3906928) has the molecular formula C20H17BrN4O3S and a molecular weight of 473.35 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide
PubChem CID3906928
Molecular FormulaC20H17BrN4O3S
Molecular Weight473.35 g/mol
Exact Mass472.02
IUPAC Name4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccnc1
InChIInChI=1S/C20H17BrN4O3S/c1-14(16-3-2-12-22-13-16)23-24-20(26)15-4-8-18(9-5-15)25-29(27,28)19-10-6-17(21)7-11-19/h2-13,25H,1H3,(H,24,26)
InChIKeyUAADTSZWPSMKCV-UHFFFAOYSA-N
XLogP3.80
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide?
The IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide (CID 3906928) is 4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide is CC(=NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccnc1.
What is the InChIKey of 4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide?
The InChIKey is UAADTSZWPSMKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O3S/c1-14(16-3-2-12-22-13-16)23-24-20(26)15-4-8-18(9-5-15)25-29(27,28)19-10-6-17(21)7-11-19/h2-13,25H,1H3,(H,24,26).
What are the key properties of 4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide?
4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide has a molecular weight of 473.35 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide is sourced from PubChem (CID 3906928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).