N-(2-aminophenyl)butane-1-sulfonamide

C10H16N2O2S — CID 16771337

IUPACN-(2-aminophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C10H16N2O2S/c1-2-3-8-15(13,14)12-10-7-5-4-6-9(10)11/h4-7,12H,2-3,8,11H2,1H3
InChIKeyMEEXLGLPCRNLRI-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.81
Rot. Bonds5

About N-(2-aminophenyl)butane-1-sulfonamide

N-(2-aminophenyl)butane-1-sulfonamide (PubChem CID 16771337) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-aminophenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)butane-1-sulfonamide
PubChem CID16771337
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-aminophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C10H16N2O2S/c1-2-3-8-15(13,14)12-10-7-5-4-6-9(10)11/h4-7,12H,2-3,8,11H2,1H3
InChIKeyMEEXLGLPCRNLRI-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
2-(butylsulfonylamino)benzamide
CID 17376030
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
N-(2-cyanophenyl)butane-1-sulfonamide
CID 5065530
N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide
CID 57127523
methyl 3-[(2-aminophenyl)sulfamoyl]propanoate
CID 54952280
N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 173327955
N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 16774838
N-(2-amino-4-cyanophenyl)butane-1-sulfonamide
CID 78965267
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
N-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
CID 43298052

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)butane-1-sulfonamide?
The IUPAC name of N-(2-aminophenyl)butane-1-sulfonamide (CID 16771337) is N-(2-aminophenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)butane-1-sulfonamide?
The InChIKey is MEEXLGLPCRNLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-3-8-15(13,14)12-10-7-5-4-6-9(10)11/h4-7,12H,2-3,8,11H2,1H3.
What are the key properties of N-(2-aminophenyl)butane-1-sulfonamide?
N-(2-aminophenyl)butane-1-sulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)butane-1-sulfonamide is sourced from PubChem (CID 16771337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).