3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide

C21H19N3O4S — CID 139878378

IUPAC3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O4S/c1-15-7-5-8-16(13-15)20(25)22-18-11-6-12-19(14-18)29(27,28)24-21(26)23-17-9-3-2-4-10-17/h2-14H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyKRJVMWDUQSTATA-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.76
Rot. Bonds5

About 3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide

3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide (PubChem CID 139878378) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
PubChem CID139878378
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O4S/c1-15-7-5-8-16(13-15)20(25)22-18-11-6-12-19(14-18)29(27,28)24-21(26)23-17-9-3-2-4-10-17/h2-14H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyKRJVMWDUQSTATA-UHFFFAOYSA-N
XLogP3.76
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
CID 90959101
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
CID 38112845
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
CID 139878369
2-[2-[2-[3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoyl]oxyethoxy]ethoxy]ethyl 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 90797650
7-[3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoyl]oxyheptyl 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 23070388
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
1-[3-(tert-butylcarbamothioylamino)phenyl]sulfonyl-3-phenylurea
CID 139878364

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide (CID 139878378) is 3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide?
The InChIKey is KRJVMWDUQSTATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-15-7-5-8-16(13-15)20(25)22-18-11-6-12-19(14-18)29(27,28)24-21(26)23-17-9-3-2-4-10-17/h2-14H,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide?
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide has a molecular weight of 409.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 139878378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).