4-[4-(sulfonylamino)phenoxy]aniline

C12H10N2O3S — CID 141324616

IUPAC4-[4-(sulfonylamino)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(N=S(=O)=O)cc2)cc1
InChIInChI=1S/C12H10N2O3S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14-18(15)16/h1-8H,13H2
InChIKeyLHCQLDAPHLKFFA-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.76
Rot. Bonds3

About 4-[4-(sulfonylamino)phenoxy]aniline

4-[4-(sulfonylamino)phenoxy]aniline (PubChem CID 141324616) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[4-(sulfonylamino)phenoxy]aniline.

Molecular Properties

Compound Name4-[4-(sulfonylamino)phenoxy]aniline
PubChem CID141324616
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name4-[4-(sulfonylamino)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(N=S(=O)=O)cc2)cc1
InChIInChI=1S/C12H10N2O3S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14-18(15)16/h1-8H,13H2
InChIKeyLHCQLDAPHLKFFA-UHFFFAOYSA-N
XLogP2.76
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)aniline
CID 161415647
4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline
CID 23389994
4-phenoxyaniline
CID 158390066
[4-(4-aminophenoxy)phenyl]-oxosulfanium
CID 174991384
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
CID 142398377
4-[4-[4-(4-aminophenoxy)anilino]phenoxy]benzenesulfinate
CID 54544161
4-[[4-(4-propylphenoxy)phenyl]diazenyl]aniline
CID 129086495
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043

Frequently Asked Questions

What is the IUPAC name of 4-[4-(sulfonylamino)phenoxy]aniline?
The IUPAC name of 4-[4-(sulfonylamino)phenoxy]aniline (CID 141324616) is 4-[4-(sulfonylamino)phenoxy]aniline.
What is the SMILES notation for 4-[4-(sulfonylamino)phenoxy]aniline?
The canonical SMILES for 4-[4-(sulfonylamino)phenoxy]aniline is Nc1ccc(Oc2ccc(N=S(=O)=O)cc2)cc1.
What is the InChIKey of 4-[4-(sulfonylamino)phenoxy]aniline?
The InChIKey is LHCQLDAPHLKFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14-18(15)16/h1-8H,13H2.
What are the key properties of 4-[4-(sulfonylamino)phenoxy]aniline?
4-[4-(sulfonylamino)phenoxy]aniline has a molecular weight of 262.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(sulfonylamino)phenoxy]aniline is sourced from PubChem (CID 141324616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).