N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide

C24H23N3O5S2 — CID 43036891

IUPACN-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C24H23N3O5S2/c28-24(26-25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)20-11-13-22(14-12-20)34(31,32)27-21-15-16-33(29,30)17-21/h1-14,21,27H,15-17H2,(H,26,28)
InChIKeyNCCSVEZDDCPXBO-UHFFFAOYSA-N
MW497.60 g/mol
LogP2.33
Rot. Bonds7

About N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide

N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (PubChem CID 43036891) has the molecular formula C24H23N3O5S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
PubChem CID43036891
Molecular FormulaC24H23N3O5S2
Molecular Weight497.60 g/mol
Exact Mass497.11
IUPAC NameN-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C24H23N3O5S2/c28-24(26-25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)20-11-13-22(14-12-20)34(31,32)27-21-15-16-33(29,30)17-21/h1-14,21,27H,15-17H2,(H,26,28)
InChIKeyNCCSVEZDDCPXBO-UHFFFAOYSA-N
XLogP2.33
TPSA121.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109059272
4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109058398
4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26003595
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24680155
ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 42954274
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-(benzhydrylideneamino)-1,1-dioxothiolane-3-carboxamide
CID 134044533
4-(2,5-dimethylpyrrol-1-yl)-N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]benzamide
CID 40796098

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The IUPAC name of N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (CID 43036891) is N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The InChIKey is NCCSVEZDDCPXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S2/c28-24(26-25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)20-11-13-22(14-12-20)34(31,32)27-21-15-16-33(29,30)17-21/h1-14,21,27H,15-17H2,(H,26,28).
What are the key properties of N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide has a molecular weight of 497.60 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 43036891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).