2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide

C14H25N3O2S — CID 102903616

IUPAC2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
SMILESCC(C)C(CNc1cccc(S(N)(=O)=O)c1N)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-9(2)11(10(3)4)8-17-12-6-5-7-13(14(12)15)20(16,18)19/h5-7,9-11,17H,8,15H2,1-4H3,(H2,16,18,19)
InChIKeyAPGFCRKSTSKKOR-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.26
Rot. Bonds6

About 2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide

2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide (PubChem CID 102903616) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
PubChem CID102903616
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
SMILESCC(C)C(CNc1cccc(S(N)(=O)=O)c1N)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-9(2)11(10(3)4)8-17-12-6-5-7-13(14(12)15)20(16,18)19/h5-7,9-11,17H,8,15H2,1-4H3,(H2,16,18,19)
InChIKeyAPGFCRKSTSKKOR-UHFFFAOYSA-N
XLogP2.26
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284293
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 115992788
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 112674921
2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652
2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 112674911
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
CID 115992256

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide (CID 102903616) is 2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide is CC(C)C(CNc1cccc(S(N)(=O)=O)c1N)C(C)C.
What is the InChIKey of 2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide?
The InChIKey is APGFCRKSTSKKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-9(2)11(10(3)4)8-17-12-6-5-7-13(14(12)15)20(16,18)19/h5-7,9-11,17H,8,15H2,1-4H3,(H2,16,18,19).
What are the key properties of 2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide?
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide is sourced from PubChem (CID 102903616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).