4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide

C17H22N2O3S — CID 86790597

IUPAC4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2O3S/c1-12(2)22-16-8-4-14(5-9-16)13(3)19-23(20,21)17-10-6-15(18)7-11-17/h4-13,19H,18H2,1-3H3
InChIKeyGEZCGTJVUJZTFL-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.10
Rot. Bonds6

About 4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide

4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide (PubChem CID 86790597) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
PubChem CID86790597
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2O3S/c1-12(2)22-16-8-4-14(5-9-16)13(3)19-23(20,21)17-10-6-15(18)7-11-17/h4-13,19H,18H2,1-3H3
InChIKeyGEZCGTJVUJZTFL-UHFFFAOYSA-N
XLogP3.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.10
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-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125319
N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide
CID 47319168
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
CID 114612845
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 42254919
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 116650244
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide (CID 86790597) is 4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide is CC(C)Oc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is GEZCGTJVUJZTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12(2)22-16-8-4-14(5-9-16)13(3)19-23(20,21)17-10-6-15(18)7-11-17/h4-13,19H,18H2,1-3H3.
What are the key properties of 4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide?
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 86790597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).