4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide

C12H21N3O2S — CID 82907155

IUPAC4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide
SMILESCCC(C)N(CC)c1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H21N3O2S/c1-4-9(3)15(5-2)12-8-10(18(14,16)17)6-7-11(12)13/h6-9H,4-5,13H2,1-3H3,(H2,14,16,17)
InChIKeyGXXNJSULWKOTAI-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.54
Rot. Bonds5

About 4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide

4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide (PubChem CID 82907155) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide
PubChem CID82907155
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide
SMILESCCC(C)N(CC)c1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H21N3O2S/c1-4-9(3)15(5-2)12-8-10(18(14,16)17)6-7-11(12)13/h6-9H,4-5,13H2,1-3H3,(H2,14,16,17)
InChIKeyGXXNJSULWKOTAI-UHFFFAOYSA-N
XLogP1.54
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.54
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

4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide
CID 82907017
4-amino-3-[butan-2-yl(ethyl)amino]benzoic acid
CID 82785049
4-amino-3-[2-cyanopropyl(ethyl)amino]benzenesulfonamide
CID 82907016
4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
CID 82907914
4-amino-3-[butan-2-yl(ethyl)amino]benzonitrile
CID 104711503
4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide
CID 82900395
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 82898608
4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide
CID 82899358
3-amino-4-[3-hydroxypropyl(propan-2-yl)amino]benzenesulfonamide
CID 54993716
2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide
CID 82899245
1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine
CID 43274256
4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide
CID 82907539

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide (CID 82907155) is 4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide is CCC(C)N(CC)c1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide?
The InChIKey is GXXNJSULWKOTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-9(3)15(5-2)12-8-10(18(14,16)17)6-7-11(12)13/h6-9H,4-5,13H2,1-3H3,(H2,14,16,17).
What are the key properties of 4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide?
4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide is sourced from PubChem (CID 82907155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).