2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide

C15H27N3O2S — CID 79490684

IUPAC2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide
SMILESCCC(CC)N(CC(C)C)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C15H27N3O2S/c1-5-12(6-2)18(10-11(3)4)13-7-8-15(14(16)9-13)21(17,19)20/h7-9,11-12H,5-6,10,16H2,1-4H3,(H2,17,19,20)
InChIKeyRBEGRWKQIYXVDQ-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.57
Rot. Bonds7

About 2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide

2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide (PubChem CID 79490684) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide
PubChem CID79490684
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide
SMILESCCC(CC)N(CC(C)C)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C15H27N3O2S/c1-5-12(6-2)18(10-11(3)4)13-7-8-15(14(16)9-13)21(17,19)20/h7-9,11-12H,5-6,10,16H2,1-4H3,(H2,17,19,20)
InChIKeyRBEGRWKQIYXVDQ-UHFFFAOYSA-N
XLogP2.57
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.57
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

2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide
CID 79466432
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide
CID 79466499
2-amino-4-(diethylamino)benzenesulfonamide
CID 79460140
2-amino-4-(dimethylamino)benzenesulfonamide
CID 79466326
2-amino-4-[2-hydroxyethyl(pentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 80642720
2-amino-4-[ethyl(propyl)amino]benzenesulfonamide
CID 79466974
2-amino-4-(3-methylbutylsulfanyl)benzenesulfonamide
CID 107748086
2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]benzoic acid
CID 79484218
2-(3-amino-N-ethyl-4-sulfamoylanilino)acetamide
CID 103101163
2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide
CID 80646366
5-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylbenzene-1,3-diamine
CID 112648051
2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide
CID 79466847

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide (CID 79490684) is 2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide is CCC(CC)N(CC(C)C)c1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide?
The InChIKey is RBEGRWKQIYXVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-12(6-2)18(10-11(3)4)13-7-8-15(14(16)9-13)21(17,19)20/h7-9,11-12H,5-6,10,16H2,1-4H3,(H2,17,19,20).
What are the key properties of 2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide?
2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79490684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).