3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide

C20H20N2O3S — CID 1643

IUPAC3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)c(N)c1
InChIInChI=1S/C20H20N2O3S/c1-2-22(16-9-5-3-6-10-16)26(23,24)18-13-14-20(19(21)15-18)25-17-11-7-4-8-12-17/h3-15H,2,21H2,1H3
InChIKeyGHUSPTPILIZGPQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.28
Rot. Bonds6

About 3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide

3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide (PubChem CID 1643) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide
PubChem CID1643
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)c(N)c1
InChIInChI=1S/C20H20N2O3S/c1-2-22(16-9-5-3-6-10-16)26(23,24)18-13-14-20(19(21)15-18)25-17-11-7-4-8-12-17/h3-15H,2,21H2,1H3
InChIKeyGHUSPTPILIZGPQ-UHFFFAOYSA-N
XLogP4.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
4-(3-chloro-2-cyanophenoxy)-N-ethyl-N-phenylbenzenesulfonamide
CID 3716205
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide
CID 43341127
3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide
CID 43162717
N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 100820451
N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 768929
2-(4-ethylphenoxy)-5-methylsulfonylaniline
CID 43448142

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide (CID 1643) is 3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide?
The InChIKey is GHUSPTPILIZGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-2-22(16-9-5-3-6-10-16)26(23,24)18-13-14-20(19(21)15-18)25-17-11-7-4-8-12-17/h3-15H,2,21H2,1H3.
What are the key properties of 3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide?
3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 1643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).