3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

C20H17ClN4O3S — CID 6236397

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccn1
InChIInChI=1S/C20H17ClN4O3S/c1-14(19-10-2-3-11-22-19)23-24-20(26)15-6-4-9-18(12-15)29(27,28)25-17-8-5-7-16(21)13-17/h2-13,25H,1H3,(H,24,26)/b23-14-
InChIKeyCCFVNAGUWVJORS-UCQKPKSFSA-N
MW428.90 g/mol
LogP3.69
Rot. Bonds6

About 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (PubChem CID 6236397) has the molecular formula C20H17ClN4O3S and a molecular weight of 428.90 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
PubChem CID6236397
Molecular FormulaC20H17ClN4O3S
Molecular Weight428.90 g/mol
Exact Mass428.07
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccn1
InChIInChI=1S/C20H17ClN4O3S/c1-14(19-10-2-3-11-22-19)23-24-20(26)15-6-4-9-18(12-15)29(27,28)25-17-8-5-7-16(21)13-17/h2-13,25H,1H3,(H,24,26)/b23-14-
InChIKeyCCFVNAGUWVJORS-UCQKPKSFSA-N
XLogP3.69
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 53.69
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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Related Compounds

3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 29144925
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148
3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872063
3-[(3-chlorophenyl)sulfamoyl]-N-cyclohexylbenzamide
CID 9043246
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5416440
2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2390321

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (CID 6236397) is 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccn1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The InChIKey is CCFVNAGUWVJORS-UCQKPKSFSA-N. The full InChI is InChI=1S/C20H17ClN4O3S/c1-14(19-10-2-3-11-22-19)23-24-20(26)15-6-4-9-18(12-15)29(27,28)25-17-8-5-7-16(21)13-17/h2-13,25H,1H3,(H,24,26)/b23-14-.
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide has a molecular weight of 428.90 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 6236397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).