N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide

C21H18ClN3O3S — CID 60606311

IUPACN-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18ClN3O3S/c1-29(27,28)25-19-13-12-17(22)14-18(19)21(26)24-23-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,25H,1H3,(H,24,26)
InChIKeyBRBORHFYFLOXBW-UHFFFAOYSA-N
MW427.91 g/mol
LogP3.89
Rot. Bonds6

About N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide

N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide (PubChem CID 60606311) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide
PubChem CID60606311
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC NameN-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18ClN3O3S/c1-29(27,28)25-19-13-12-17(22)14-18(19)21(26)24-23-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,25H,1H3,(H,24,26)
InChIKeyBRBORHFYFLOXBW-UHFFFAOYSA-N
XLogP3.89
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 3429251
5-chloro-2-(methanesulfonamido)-N-(3-methylphenyl)benzamide
CID 49191937
5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide
CID 120831052
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
CID 60606334
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]acetamide
CID 6163012
5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
CID 49194436
2,4-dichloro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368130
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide
CID 72554014

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide?
The IUPAC name of N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide (CID 60606311) is N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide?
The canonical SMILES for N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide?
The InChIKey is BRBORHFYFLOXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c1-29(27,28)25-19-13-12-17(22)14-18(19)21(26)24-23-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,25H,1H3,(H,24,26).
What are the key properties of N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide?
N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide has a molecular weight of 427.91 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 60606311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).