N,N'-bis(benzenesulfonyl)butanediamide

C16H16N2O6S2 — CID 12893964

IUPACN,N'-bis(benzenesulfonyl)butanediamide
SMILESO=C(CCC(=O)NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N2O6S2/c19-15(17-25(21,22)13-7-3-1-4-8-13)11-12-16(20)18-26(23,24)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)
InChIKeyYAWYLRMCSIUOFJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP0.78
Rot. Bonds7

About N,N'-bis(benzenesulfonyl)butanediamide

N,N'-bis(benzenesulfonyl)butanediamide (PubChem CID 12893964) has the molecular formula C16H16N2O6S2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N,N'-bis(benzenesulfonyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(benzenesulfonyl)butanediamide
PubChem CID12893964
Molecular FormulaC16H16N2O6S2
Molecular Weight396.45 g/mol
Exact Mass396.04
IUPAC NameN,N'-bis(benzenesulfonyl)butanediamide
SMILESO=C(CCC(=O)NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N2O6S2/c19-15(17-25(21,22)13-7-3-1-4-8-13)11-12-16(20)18-26(23,24)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)
InChIKeyYAWYLRMCSIUOFJ-UHFFFAOYSA-N
XLogP0.78
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
N-(benzenesulfonyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 86997724
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
CID 90425402
ethyl 3-[[4-(benzenesulfonamido)-4-oxobutanoyl]amino]propanoate
CID 172991928
N-(benzenesulfonyl)-2-(4-hydroxyphenyl)acetamide
CID 139754141
N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
CID 47268516
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713
6-amino-N-(benzenesulfonyl)-4-ethylhexanamide
CID 103308862
N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide
CID 87011276
N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 47347568
N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(benzenesulfonyl)butanediamide?
The IUPAC name of N,N'-bis(benzenesulfonyl)butanediamide (CID 12893964) is N,N'-bis(benzenesulfonyl)butanediamide.
What is the SMILES notation for N,N'-bis(benzenesulfonyl)butanediamide?
The canonical SMILES for N,N'-bis(benzenesulfonyl)butanediamide is O=C(CCC(=O)NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N,N'-bis(benzenesulfonyl)butanediamide?
The InChIKey is YAWYLRMCSIUOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S2/c19-15(17-25(21,22)13-7-3-1-4-8-13)11-12-16(20)18-26(23,24)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis(benzenesulfonyl)butanediamide?
N,N'-bis(benzenesulfonyl)butanediamide has a molecular weight of 396.45 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(benzenesulfonyl)butanediamide is sourced from PubChem (CID 12893964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).