N'-(benzenesulfonyl)-N'-methylbutanediamide

C11H14N2O4S — CID 101154406

IUPACN'-(benzenesulfonyl)-N'-methylbutanediamide
SMILESCN(C(=O)CCC(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O4S/c1-13(11(15)8-7-10(12)14)18(16,17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,14)
InChIKeyPXFHLHFMBZPPBD-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.10
Rot. Bonds5

About N'-(benzenesulfonyl)-N'-methylbutanediamide

N'-(benzenesulfonyl)-N'-methylbutanediamide (PubChem CID 101154406) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N'-methylbutanediamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N'-methylbutanediamide
PubChem CID101154406
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN'-(benzenesulfonyl)-N'-methylbutanediamide
SMILESCN(C(=O)CCC(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O4S/c1-13(11(15)8-7-10(12)14)18(16,17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,14)
InChIKeyPXFHLHFMBZPPBD-UHFFFAOYSA-N
XLogP0.10
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethylbenzenesulfonamide;2-thiophen-2-ylacetamide
CID 144812219
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
[benzenesulfonyl(methyl)amino]urea
CID 172749121
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
1-(benzenesulfonyl)-1-carbamoylurea
CID 70230141
N',N'-dibenzylbutanediamide
CID 101024490
3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide
CID 38893159
1-(benzenesulfonyl)-1-(2-methylpropyl)urea
CID 154208378
N-(benzenesulfonyl)-N,3-dimethylbutanamide;1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 161406506
ethyl 2-[benzenesulfonyl(2-oxopropyl)amino]acetate
CID 42807608
4-[[2-[benzenesulfonyl(methyl)amino]acetyl]-methylamino]butanoic acid
CID 119136438
ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
CID 54135692

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N'-methylbutanediamide?
The IUPAC name of N'-(benzenesulfonyl)-N'-methylbutanediamide (CID 101154406) is N'-(benzenesulfonyl)-N'-methylbutanediamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N'-methylbutanediamide?
The canonical SMILES for N'-(benzenesulfonyl)-N'-methylbutanediamide is CN(C(=O)CCC(N)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-N'-methylbutanediamide?
The InChIKey is PXFHLHFMBZPPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-13(11(15)8-7-10(12)14)18(16,17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,14).
What are the key properties of N'-(benzenesulfonyl)-N'-methylbutanediamide?
N'-(benzenesulfonyl)-N'-methylbutanediamide has a molecular weight of 270.31 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N'-methylbutanediamide is sourced from PubChem (CID 101154406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).