N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide

C19H25N3O5S2 — CID 1007873

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25N3O5S2/c1-5-22(6-2)29(26,27)18-13-9-16(10-14-18)20-19(23)15-7-11-17(12-8-15)21(3)28(4,24)25/h7-14H,5-6H2,1-4H3,(H,20,23)
InChIKeyTXQVQPSKCVXJKG-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.37
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide

N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 1007873) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID1007873
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25N3O5S2/c1-5-22(6-2)29(26,27)18-13-9-16(10-14-18)20-19(23)15-7-11-17(12-8-15)21(3)28(4,24)25/h7-14H,5-6H2,1-4H3,(H,20,23)
InChIKeyTXQVQPSKCVXJKG-UHFFFAOYSA-N
XLogP2.37
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
2,2'-Dithiobis-(N-(4-sulfamoylphenyl)-benzamide)
CID 375084
N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
USP30 inhibitor 18
CID 142474792
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
N,N-Dimethyl-2-aminosulfonyl-4-formamidobenzamide
CID 15240549
5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
CID 20969430
4-(3-(4-Acetylphenyl)ureido)benzenesulfonamide
CID 27870796
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 1007873) is N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is TXQVQPSKCVXJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-5-22(6-2)29(26,27)18-13-9-16(10-14-18)20-19(23)15-7-11-17(12-8-15)21(3)28(4,24)25/h7-14H,5-6H2,1-4H3,(H,20,23).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 439.56 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 1007873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).