4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide

C12H20N2O3S — CID 114943074

IUPAC4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide
SMILESCCOC(C)(C)CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-17-12(2,3)9-14-10-5-7-11(8-6-10)18(13,15)16/h5-8,14H,4,9H2,1-3H3,(H2,13,15,16)
InChIKeyXNECCDLNNUCWSW-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.56
Rot. Bonds6

About 4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide

4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide (PubChem CID 114943074) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide
PubChem CID114943074
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide
SMILESCCOC(C)(C)CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-17-12(2,3)9-14-10-5-7-11(8-6-10)18(13,15)16/h5-8,14H,4,9H2,1-3H3,(H2,13,15,16)
InChIKeyXNECCDLNNUCWSW-UHFFFAOYSA-N
XLogP1.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745
2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 114944541
1-N-(2-ethoxy-2-methylpropyl)-4-nitrobenzene-1,3-diamine
CID 106749707
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
2-ethyl-1-N-(4-methylsulfonylphenyl)butane-1,2-diamine
CID 113283230
4-(3-aminopentylamino)benzenesulfonamide
CID 113498131
N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
CID 103462508
4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 114940446

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide (CID 114943074) is 4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide is CCOC(C)(C)CNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide?
The InChIKey is XNECCDLNNUCWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-17-12(2,3)9-14-10-5-7-11(8-6-10)18(13,15)16/h5-8,14H,4,9H2,1-3H3,(H2,13,15,16).
What are the key properties of 4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide?
4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 114943074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).