4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide

C14H25N3O3S — CID 82898329

IUPAC4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide
SMILESCC(C)N(CCOc1cc(S(N)(=O)=O)ccc1N)C(C)C
InChIInChI=1S/C14H25N3O3S/c1-10(2)17(11(3)4)7-8-20-14-9-12(21(16,18)19)5-6-13(14)15/h5-6,9-11H,7-8,15H2,1-4H3,(H2,16,18,19)
InChIKeyIXYWGNDTGQHJKO-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.41
Rot. Bonds7

About 4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide

4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide (PubChem CID 82898329) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide
PubChem CID82898329
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide
SMILESCC(C)N(CCOc1cc(S(N)(=O)=O)ccc1N)C(C)C
InChIInChI=1S/C14H25N3O3S/c1-10(2)17(11(3)4)7-8-20-14-9-12(21(16,18)19)5-6-13(14)15/h5-6,9-11H,7-8,15H2,1-4H3,(H2,16,18,19)
InChIKeyIXYWGNDTGQHJKO-UHFFFAOYSA-N
XLogP1.41
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
4-amino-3-(2-propoxyethoxy)benzenesulfonamide
CID 82898491
4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112587096
5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline
CID 115505357
4-amino-3-(3-hydroxypropoxy)-N,N-dimethylbenzenesulfonamide
CID 82901321
4-ethylsulfonyl-2-propoxyaniline
CID 63670906
4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide
CID 82901534
4-amino-3-heptoxy-N,N-dimethylbenzenesulfonamide
CID 82902494
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 82901458
3-[2-[di(propan-2-yl)amino]ethoxy]-4-nitroaniline
CID 18672688

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide?
The IUPAC name of 4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide (CID 82898329) is 4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide is CC(C)N(CCOc1cc(S(N)(=O)=O)ccc1N)C(C)C.
What is the InChIKey of 4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide?
The InChIKey is IXYWGNDTGQHJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-10(2)17(11(3)4)7-8-20-14-9-12(21(16,18)19)5-6-13(14)15/h5-6,9-11H,7-8,15H2,1-4H3,(H2,16,18,19).
What are the key properties of 4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide?
4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide is sourced from PubChem (CID 82898329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).