4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide

C11H19N3O3S — CID 82908006

IUPAC4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
SMILESCCOCC(C)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H19N3O3S/c1-3-17-7-8(2)14-11-6-9(18(13,15)16)4-5-10(11)12/h4-6,8,14H,3,7,12H2,1-2H3,(H2,13,15,16)
InChIKeyAEYZHUIIQUJYJX-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.75
Rot. Bonds6

About 4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide

4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide (PubChem CID 82908006) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
PubChem CID82908006
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
SMILESCCOCC(C)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H19N3O3S/c1-3-17-7-8(2)14-11-6-9(18(13,15)16)4-5-10(11)12/h4-6,8,14H,3,7,12H2,1-2H3,(H2,13,15,16)
InChIKeyAEYZHUIIQUJYJX-UHFFFAOYSA-N
XLogP0.75
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.75
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-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide
CID 82898469
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
ethyl 4-amino-3-(1-ethoxypropan-2-ylamino)benzoate
CID 82785251
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
CID 82907245
4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide
CID 82900216
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-3-(octan-4-ylamino)benzenesulfonamide
CID 106022408
5-[4-amino-3-[[(2S)-1-ethoxypropan-2-yl]amino]phenyl]-1,3-dimethylpyridin-2-one
CID 126582765

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide (CID 82908006) is 4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide is CCOCC(C)Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide?
The InChIKey is AEYZHUIIQUJYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-17-7-8(2)14-11-6-9(18(13,15)16)4-5-10(11)12/h4-6,8,14H,3,7,12H2,1-2H3,(H2,13,15,16).
What are the key properties of 4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide?
4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.75, 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-ethoxypropan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 82908006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).