N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide

C11H17ClN2O3S — CID 79593923

IUPACN-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-8(2)17-5-6-18(15,16)14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyWMPXFFUNJBBIHK-UHFFFAOYSA-N
MW292.79 g/mol
LogP2.09
Rot. Bonds6

About N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide

N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79593923) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79593923
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC NameN-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-8(2)17-5-6-18(15,16)14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyWMPXFFUNJBBIHK-UHFFFAOYSA-N
XLogP2.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 103729090
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 107697822
N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594056
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 81280127
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525
N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 82013391
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
5-fluoro-2-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 82015535
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79593838
N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide
CID 104826554
N-(3-hydroxy-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594475

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide (CID 79593923) is N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is WMPXFFUNJBBIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-8(2)17-5-6-18(15,16)14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide?
N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79593923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).