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

C16H16N2O6S2 — CID 135051885

IUPACN-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CC(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O6S2/c1-12-7-9-14(10-8-12)26(23,24)18-16(20)11-15(19)17-25(21,22)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyZTBSQPKYAOVRDZ-UHFFFAOYSA-N
MW396.45 g/mol
LogP0.70
Rot. Bonds6

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

N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide (PubChem CID 135051885) has the molecular formula C16H16N2O6S2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
PubChem CID135051885
Molecular FormulaC16H16N2O6S2
Molecular Weight396.45 g/mol
Exact Mass396.04
IUPAC NameN-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CC(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O6S2/c1-12-7-9-14(10-8-12)26(23,24)18-16(20)11-15(19)17-25(21,22)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyZTBSQPKYAOVRDZ-UHFFFAOYSA-N
XLogP0.70
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.70
H-Bond Donors ≤ 52
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'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
CID 90425402
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
(4-methylphenyl)sulfonylurea;urea
CID 160676948
ethyl (E)-3-[(4-methylphenyl)sulfonylamino]-2-phenylbut-2-enoate
CID 101155557
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
1-benzhydryl-3-(4-methylphenyl)sulfonylurea
CID 1124078

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide?
The IUPAC name of N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide (CID 135051885) is N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide.
What is the SMILES notation for N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide?
The canonical SMILES for N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide is Cc1ccc(S(=O)(=O)NC(=O)CC(=O)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide?
The InChIKey is ZTBSQPKYAOVRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S2/c1-12-7-9-14(10-8-12)26(23,24)18-16(20)11-15(19)17-25(21,22)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide?
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide has a molecular weight of 396.45 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide is sourced from PubChem (CID 135051885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).