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

C24H24N2O5S2 — CID 24536401

IUPACN-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C24H24N2O5S2/c27-24(25-23(18-8-3-1-4-9-18)19-10-5-2-6-11-19)20-12-7-13-22(16-20)33(30,31)26-21-14-15-32(28,29)17-21/h1-13,16,21,23,26H,14-15,17H2,(H,25,27)
InChIKeyMOYDFGHVCPPKPJ-UHFFFAOYSA-N
MW484.60 g/mol
LogP2.67
Rot. Bonds7

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

N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (PubChem CID 24536401) has the molecular formula C24H24N2O5S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
PubChem CID24536401
Molecular FormulaC24H24N2O5S2
Molecular Weight484.60 g/mol
Exact Mass484.11
IUPAC NameN-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C24H24N2O5S2/c27-24(25-23(18-8-3-1-4-9-18)19-10-5-2-6-11-19)20-12-7-13-22(16-20)33(30,31)26-21-14-15-32(28,29)17-21/h1-13,16,21,23,26H,14-15,17H2,(H,25,27)
InChIKeyMOYDFGHVCPPKPJ-UHFFFAOYSA-N
XLogP2.67
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
CID 25329934
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 43017144
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 24564536
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The IUPAC name of N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (CID 24536401) is N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The canonical SMILES for N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is O=C(NC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The InChIKey is MOYDFGHVCPPKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S2/c27-24(25-23(18-8-3-1-4-9-18)19-10-5-2-6-11-19)20-12-7-13-22(16-20)33(30,31)26-21-14-15-32(28,29)17-21/h1-13,16,21,23,26H,14-15,17H2,(H,25,27).
What are the key properties of N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 24536401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).