N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide

C17H18N2O6S2 — CID 135052084

IUPACN-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)CC(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O6S2/c1-13-8-10-15(11-9-13)27(24,25)19(2)17(21)12-16(20)18-26(22,23)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,18,20)
InChIKeyOVBWOKLWOWIOCL-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.04
Rot. Bonds6

About N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide

N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide (PubChem CID 135052084) has the molecular formula C17H18N2O6S2 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
PubChem CID135052084
Molecular FormulaC17H18N2O6S2
Molecular Weight410.47 g/mol
Exact Mass410.06
IUPAC NameN-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)CC(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O6S2/c1-13-8-10-15(11-9-13)27(24,25)19(2)17(21)12-16(20)18-26(22,23)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,18,20)
InChIKeyOVBWOKLWOWIOCL-UHFFFAOYSA-N
XLogP1.04
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 122208308
1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea
CID 15716439
N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 122208299
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
1,1,3-tris-(4-methylphenyl)sulfonylurea
CID 91086807
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 155490363
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N'-(benzenesulfonyl)-N'-methylbutanediamide
CID 101154406

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide?
The IUPAC name of N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide (CID 135052084) is N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide.
What is the SMILES notation for N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide?
The canonical SMILES for N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide is Cc1ccc(S(=O)(=O)N(C)C(=O)CC(=O)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide?
The InChIKey is OVBWOKLWOWIOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S2/c1-13-8-10-15(11-9-13)27(24,25)19(2)17(21)12-16(20)18-26(22,23)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,18,20).
What are the key properties of N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide?
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide has a molecular weight of 410.47 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide is sourced from PubChem (CID 135052084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).