N-(3-aminophenyl)butane-1-sulfonamide

C10H16N2O2S — CID 16778445

IUPACN-(3-aminophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C10H16N2O2S/c1-2-3-7-15(13,14)12-10-6-4-5-9(11)8-10/h4-6,8,12H,2-3,7,11H2,1H3
InChIKeyKBHUYOKQXBDDJY-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.81
Rot. Bonds5

About N-(3-aminophenyl)butane-1-sulfonamide

N-(3-aminophenyl)butane-1-sulfonamide (PubChem CID 16778445) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(3-aminophenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)butane-1-sulfonamide
PubChem CID16778445
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(3-aminophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C10H16N2O2S/c1-2-3-7-15(13,14)12-10-6-4-5-9(11)8-10/h4-6,8,12H,2-3,7,11H2,1H3
InChIKeyKBHUYOKQXBDDJY-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-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460
N-(3-formylphenyl)butane-1-sulfonamide
CID 87474452
N-(3-aminophenyl)-1,1,1-trifluoromethanesulfonamide;methane;pentane
CID 158345532
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide
CID 20650751
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844
N-[4-(3-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112988982
3-(octylsulfonylamino)benzoic acid
CID 152726076
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998
N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide
CID 19070380

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)butane-1-sulfonamide?
The IUPAC name of N-(3-aminophenyl)butane-1-sulfonamide (CID 16778445) is N-(3-aminophenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)butane-1-sulfonamide?
The InChIKey is KBHUYOKQXBDDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-3-7-15(13,14)12-10-6-4-5-9(11)8-10/h4-6,8,12H,2-3,7,11H2,1H3.
What are the key properties of N-(3-aminophenyl)butane-1-sulfonamide?
N-(3-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-(3-aminophenyl)butane-1-sulfonamide is sourced from PubChem (CID 16778445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).