3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide

C16H20N4O5S2 — CID 55551931

IUPAC3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)cc(C)c1C
InChIInChI=1S/C16H20N4O5S2/c1-10-7-12(8-15(11(10)2)26(22,23)18-3)16(21)19-13-5-4-6-14(9-13)20-27(17,24)25/h4-9,18,20H,1-3H3,(H,19,21)(H2,17,24,25)
InChIKeyATFMETNNKOKUSF-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.08
Rot. Bonds6

About 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide

3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide (PubChem CID 55551931) has the molecular formula C16H20N4O5S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide
PubChem CID55551931
Molecular FormulaC16H20N4O5S2
Molecular Weight412.49 g/mol
Exact Mass412.09
IUPAC Name3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)cc(C)c1C
InChIInChI=1S/C16H20N4O5S2/c1-10-7-12(8-15(11(10)2)26(22,23)18-3)16(21)19-13-5-4-6-14(9-13)20-27(17,24)25/h4-9,18,20H,1-3H3,(H,19,21)(H2,17,24,25)
InChIKeyATFMETNNKOKUSF-UHFFFAOYSA-N
XLogP1.08
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]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-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729874
N-(3-methoxyphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 43022494
3,4-dimethyl-5-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid
CID 24622089
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39131564
3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide
CID 166201010
3-methyl-N-[3-(sulfamoylamino)phenyl]furan-2-carboxamide
CID 60728536
3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38467012
N-[3-(sulfamoylamino)phenyl]thiophene-3-carboxamide
CID 60728385
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55884527
2-bromo-N-[3-(sulfamoylamino)phenyl]furan-3-carboxamide
CID 106853237
3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157
6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide
CID 61130491

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide (CID 55551931) is 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide?
The InChIKey is ATFMETNNKOKUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S2/c1-10-7-12(8-15(11(10)2)26(22,23)18-3)16(21)19-13-5-4-6-14(9-13)20-27(17,24)25/h4-9,18,20H,1-3H3,(H,19,21)(H2,17,24,25).
What are the key properties of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide?
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide is sourced from PubChem (CID 55551931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).