N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide

C30H31FN4O5S2 — CID 18891155

IUPACN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)c(C)c1
InChIInChI=1S/C30H31FN4O5S2/c1-21-9-18-28(22(2)19-21)33-41(37,38)26-16-14-25(15-17-26)32-30(36)24-12-10-23(11-13-24)20-35(42(39,40)34(3)4)29-8-6-5-7-27(29)31/h5-19,33H,20H2,1-4H3,(H,32,36)
InChIKeyUDLQICKGIOCVPF-UHFFFAOYSA-N
MW610.73 g/mol
LogP5.31
Rot. Bonds10

About N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide (PubChem CID 18891155) has the molecular formula C30H31FN4O5S2 and a molecular weight of 610.73 g/mol. Its IUPAC name is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide
PubChem CID18891155
Molecular FormulaC30H31FN4O5S2
Molecular Weight610.73 g/mol
Exact Mass610.17
IUPAC NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)c(C)c1
InChIInChI=1S/C30H31FN4O5S2/c1-21-9-18-28(22(2)19-21)33-41(37,38)26-16-14-25(15-17-26)32-30(36)24-12-10-23(11-13-24)20-35(42(39,40)34(3)4)29-8-6-5-7-27(29)31/h5-19,33H,20H2,1-4H3,(H,32,36)
InChIKeyUDLQICKGIOCVPF-UHFFFAOYSA-N
XLogP5.31
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.73
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide
CID 53283325
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 5140498
ethyl 2-chloro-4-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzoate
CID 46764334
ethyl 2-chloro-5-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzoate
CID 43908588
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99955420
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43881768
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126353986
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(2-ethylsulfanylphenyl)benzamide
CID 28569994
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53283286
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
CID 3410606
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide?
The IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide (CID 18891155) is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide.
What is the SMILES notation for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide?
The canonical SMILES for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)c(C)c1.
What is the InChIKey of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide?
The InChIKey is UDLQICKGIOCVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O5S2/c1-21-9-18-28(22(2)19-21)33-41(37,38)26-16-14-25(15-17-26)32-30(36)24-12-10-23(11-13-24)20-35(42(39,40)34(3)4)29-8-6-5-7-27(29)31/h5-19,33H,20H2,1-4H3,(H,32,36).
What are the key properties of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide?
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide has a molecular weight of 610.73 g/mol, XLogP of 5.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide is sourced from PubChem (CID 18891155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).