4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide

C12H18N2O3S — CID 81180754

IUPAC4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H18N2O3S/c1-14(2)12(15)7-4-8-18(16,17)11-6-3-5-10(13)9-11/h3,5-6,9H,4,7-8,13H2,1-2H3
InChIKeyZFXANBYRANHGGD-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.91
Rot. Bonds5

About 4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide

4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide (PubChem CID 81180754) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide
PubChem CID81180754
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H18N2O3S/c1-14(2)12(15)7-4-8-18(16,17)11-6-3-5-10(13)9-11/h3,5-6,9H,4,7-8,13H2,1-2H3
InChIKeyZFXANBYRANHGGD-UHFFFAOYSA-N
XLogP0.91
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylsulfonylpropylsulfonyl)aniline
CID 81181376
3-(3-aminophenyl)sulfonylpropanamide
CID 81180746
4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide
CID 81192561
3-(3-aminophenyl)sulfonyl-N-methylpropanamide
CID 81180826
3-(2-ethylsulfonylethylsulfonyl)aniline
CID 81180203
2-chloro-4-[4-(dimethylamino)-4-oxobutyl]sulfonylbenzoic acid
CID 107090368
3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide
CID 81182424
4-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylbutanamide
CID 81206613
3-[3-(2,2,2-trifluoroethoxy)propylsulfonyl]aniline
CID 81181014
3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 119748277
3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81181099
3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 43587419

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide?
The IUPAC name of 4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide (CID 81180754) is 4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide?
The canonical SMILES for 4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide is CN(C)C(=O)CCCS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide?
The InChIKey is ZFXANBYRANHGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(2)12(15)7-4-8-18(16,17)11-6-3-5-10(13)9-11/h3,5-6,9H,4,7-8,13H2,1-2H3.
What are the key properties of 4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide?
4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide has a molecular weight of 270.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide is sourced from PubChem (CID 81180754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).