5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide

C11H18N2O2S2 — CID 107748040

IUPAC5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide
SMILESCCC(C)CSc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S2/c1-3-8(2)7-16-10-5-4-9(12)6-11(10)17(13,14)15/h4-6,8H,3,7,12H2,1-2H3,(H2,13,14,15)
InChIKeyUVPHJROCLLOONN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.05
Rot. Bonds5

About 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide

5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide (PubChem CID 107748040) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide
PubChem CID107748040
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide
SMILESCCC(C)CSc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S2/c1-3-8(2)7-16-10-5-4-9(12)6-11(10)17(13,14)15/h4-6,8H,3,7,12H2,1-2H3,(H2,13,14,15)
InChIKeyUVPHJROCLLOONN-UHFFFAOYSA-N
XLogP2.05
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-(2-methylbutylsulfanyl)aniline
CID 82841459
4-methyl-3-(2-methylbutylsulfanyl)aniline
CID 79141416
5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
CID 113472684
3-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 66103511
[3-bromo-4-(2-methylbutylsulfanyl)phenyl]methanamine
CID 107752055
5-amino-2-hexadecylsulfanylbenzenesulfonyl fluoride
CID 154252154
4-(2-methylbutylsulfonyl)aniline
CID 62105526
3-butan-2-ylsulfonyl-4-methylaniline
CID 81191209
5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
CID 79896823
4-butan-2-ylsulfonyl-3-fluoroaniline
CID 81191829
[3-fluoro-4-(2-methylbutylsulfanyl)phenyl]methanamine
CID 107752081
5-amino-2-(methylaminomethyl)benzenesulfonamide
CID 56998580

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide (CID 107748040) is 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide is CCC(C)CSc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide?
The InChIKey is UVPHJROCLLOONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-3-8(2)7-16-10-5-4-9(12)6-11(10)17(13,14)15/h4-6,8H,3,7,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide?
5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide has a molecular weight of 274.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 107748040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).