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

C14H25N3O2S — CID 82907017

IUPAC4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide
SMILESCCCCN(c1cc(S(N)(=O)=O)ccc1N)C(C)CC
InChIInChI=1S/C14H25N3O2S/c1-4-6-9-17(11(3)5-2)14-10-12(20(16,18)19)7-8-13(14)15/h7-8,10-11H,4-6,9,15H2,1-3H3,(H2,16,18,19)
InChIKeyUWUCPIHNXXLMII-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.32
Rot. Bonds7

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

4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide (PubChem CID 82907017) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide
PubChem CID82907017
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide
SMILESCCCCN(c1cc(S(N)(=O)=O)ccc1N)C(C)CC
InChIInChI=1S/C14H25N3O2S/c1-4-6-9-17(11(3)5-2)14-10-12(20(16,18)19)7-8-13(14)15/h7-8,10-11H,4-6,9,15H2,1-3H3,(H2,16,18,19)
InChIKeyUWUCPIHNXXLMII-UHFFFAOYSA-N
XLogP2.32
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.32
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(ethyl)amino]benzenesulfonamide
CID 82907155
4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide
CID 82899358
2-bromo-1-N-butan-2-yl-1-N-butylbenzene-1,4-diamine
CID 63406245
3-amino-4-[3-hydroxypropyl(propan-2-yl)amino]benzenesulfonamide
CID 54993716
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 82898608
4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine
CID 115468800
3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide
CID 82992945
4-amino-3-[2-cyanopropyl(ethyl)amino]benzenesulfonamide
CID 82907016
5-N-butan-2-yl-5-N-butyl-2-methyl-1,3-benzothiazole-5,6-diamine
CID 63406160
4-[(1R)-1-aminoethyl]-2-bromo-N-butan-2-yl-N-butylaniline
CID 78944493
4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
CID 82907914
3-amino-4-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 61429947

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide (CID 82907017) is 4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide is CCCCN(c1cc(S(N)(=O)=O)ccc1N)C(C)CC.
What is the InChIKey of 4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide?
The InChIKey is UWUCPIHNXXLMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-6-9-17(11(3)5-2)14-10-12(20(16,18)19)7-8-13(14)15/h7-8,10-11H,4-6,9,15H2,1-3H3,(H2,16,18,19).
What are the key properties of 4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide?
4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.32, 7 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(butyl)amino]benzenesulfonamide is sourced from PubChem (CID 82907017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).