N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide

C12H20N2O2S — CID 43298052

IUPACN-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)c1ccccc1N
InChIInChI=1S/C12H20N2O2S/c1-3-4-9-17(15,16)14-10(2)11-7-5-6-8-12(11)13/h5-8,10,14H,3-4,9,13H2,1-2H3
InChIKeyPGSVLYYBXHAPCG-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.05
Rot. Bonds6

About N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide

N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide (PubChem CID 43298052) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
PubChem CID43298052
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)c1ccccc1N
InChIInChI=1S/C12H20N2O2S/c1-3-4-9-17(15,16)14-10(2)11-7-5-6-8-12(11)13/h5-8,10,14H,3-4,9,13H2,1-2H3
InChIKeyPGSVLYYBXHAPCG-UHFFFAOYSA-N
XLogP2.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.05
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-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 146353198
methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate
CID 54952516
N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 60892670
N-[1-(2,4-dimethylphenyl)ethyl]butane-1-sulfonamide
CID 22201065
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
4-chloro-N-[1-(2-chlorophenyl)ethyl]butane-1-sulfonamide
CID 116815054
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 107858607
N-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide (CID 43298052) is N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC(C)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide?
The InChIKey is PGSVLYYBXHAPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-4-9-17(15,16)14-10(2)11-7-5-6-8-12(11)13/h5-8,10,14H,3-4,9,13H2,1-2H3.
What are the key properties of N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide?
N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 43298052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).