N-(4-aminophenyl)sulfonyl-2-methylbutanamide

C11H16N2O3S — CID 166288677

IUPACN-(4-aminophenyl)sulfonyl-2-methylbutanamide
SMILESCCC(C)C(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O3S/c1-3-8(2)11(14)13-17(15,16)10-6-4-9(12)5-7-10/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyYMCUGVCQUXRNPC-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.12
Rot. Bonds4

About N-(4-aminophenyl)sulfonyl-2-methylbutanamide

N-(4-aminophenyl)sulfonyl-2-methylbutanamide (PubChem CID 166288677) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonyl-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonyl-2-methylbutanamide
PubChem CID166288677
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(4-aminophenyl)sulfonyl-2-methylbutanamide
SMILESCCC(C)C(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O3S/c1-3-8(2)11(14)13-17(15,16)10-6-4-9(12)5-7-10/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyYMCUGVCQUXRNPC-UHFFFAOYSA-N
XLogP1.12
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
N-(4-aminophenyl)sulfonylacetamide;N,N-diethylethanamine
CID 175178486
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
CID 134977826
N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 127111058
potassium methyl N-(4-aminophenyl)sulfonylcarbamate
CID 20981828
[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
CID 45266164
(2S)-N-[3-fluoro-4-(propan-2-ylsulfonylamino)phenyl]sulfonyl-2-methylbutanamide
CID 97246904
disodium;4-aminobenzenesulfonate;2-methylbutanoic acid;4-(2-methylbutanoylamino)benzenesulfonate;hydrate
CID 163684122
2-(4-aminophenyl)sulfonyl-N-ethylpropanamide
CID 61366686
(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide
CID 94217640

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonyl-2-methylbutanamide?
The IUPAC name of N-(4-aminophenyl)sulfonyl-2-methylbutanamide (CID 166288677) is N-(4-aminophenyl)sulfonyl-2-methylbutanamide.
What is the SMILES notation for N-(4-aminophenyl)sulfonyl-2-methylbutanamide?
The canonical SMILES for N-(4-aminophenyl)sulfonyl-2-methylbutanamide is CCC(C)C(=O)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)sulfonyl-2-methylbutanamide?
The InChIKey is YMCUGVCQUXRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-8(2)11(14)13-17(15,16)10-6-4-9(12)5-7-10/h4-8H,3,12H2,1-2H3,(H,13,14).
What are the key properties of N-(4-aminophenyl)sulfonyl-2-methylbutanamide?
N-(4-aminophenyl)sulfonyl-2-methylbutanamide has a molecular weight of 256.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonyl-2-methylbutanamide is sourced from PubChem (CID 166288677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).