4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide

C12H21N3O3S — CID 82898469

IUPAC4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide
SMILESCOCC(Nc1cc(S(N)(=O)=O)ccc1N)C(C)C
InChIInChI=1S/C12H21N3O3S/c1-8(2)12(7-18-3)15-11-6-9(19(14,16)17)4-5-10(11)13/h4-6,8,12,15H,7,13H2,1-3H3,(H2,14,16,17)
InChIKeyCHDQMZRJVIDBNF-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.00
Rot. Bonds6

About 4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide

4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide (PubChem CID 82898469) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide
PubChem CID82898469
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide
SMILESCOCC(Nc1cc(S(N)(=O)=O)ccc1N)C(C)C
InChIInChI=1S/C12H21N3O3S/c1-8(2)12(7-18-3)15-11-6-9(19(14,16)17)4-5-10(11)13/h4-6,8,12,15H,7,13H2,1-3H3,(H2,14,16,17)
InChIKeyCHDQMZRJVIDBNF-UHFFFAOYSA-N
XLogP1.00
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
CID 82908006
4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
3-amino-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 54954455
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
CID 82907245
4-amino-3-(octan-4-ylamino)benzenesulfonamide
CID 106022408
4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide
CID 82907095
3-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzene-1,3-diamine
CID 65047711

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide (CID 82898469) is 4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide is COCC(Nc1cc(S(N)(=O)=O)ccc1N)C(C)C.
What is the InChIKey of 4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide?
The InChIKey is CHDQMZRJVIDBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8(2)12(7-18-3)15-11-6-9(19(14,16)17)4-5-10(11)13/h4-6,8,12,15H,7,13H2,1-3H3,(H2,14,16,17).
What are the key properties of 4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide?
4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 82898469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).