2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide

C19H15N3O4S — CID 89047387

IUPAC2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide
SMILESNc1ccc(Oc2ccccc2S(=O)(=O)Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C19H15N3O4S/c20-13-9-11-14(12-10-13)25-17-7-3-4-8-18(17)27(23,24)22-19-21-15-5-1-2-6-16(15)26-19/h1-12H,20H2,(H,21,22)
InChIKeyMONOMSYYQUKHJN-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide

2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide (PubChem CID 89047387) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide
PubChem CID89047387
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide
SMILESNc1ccc(Oc2ccccc2S(=O)(=O)Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C19H15N3O4S/c20-13-9-11-14(12-10-13)25-17-7-3-4-8-18(17)27(23,24)22-19-21-15-5-1-2-6-16(15)26-19/h1-12H,20H2,(H,21,22)
InChIKeyMONOMSYYQUKHJN-UHFFFAOYSA-N
XLogP4.00
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide
CID 165355582
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
N-(1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60980989
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
N-[3-(2,5-dimethoxyphenyl)propyl]-1,3-benzoxazol-2-amine
CID 133405981
N-propyl-1,3-benzoxazol-2-amine
CID 584386
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
N'-(1,3-benzoxazol-2-yl)pentane-1,5-diamine
CID 107323559
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine
CID 51120974
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide (CID 89047387) is 2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide is Nc1ccc(Oc2ccccc2S(=O)(=O)Nc2nc3ccccc3o2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide?
The InChIKey is MONOMSYYQUKHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c20-13-9-11-14(12-10-13)25-17-7-3-4-8-18(17)27(23,24)22-19-21-15-5-1-2-6-16(15)26-19/h1-12H,20H2,(H,21,22).
What are the key properties of 2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide?
2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide has a molecular weight of 381.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(1,3-benzoxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 89047387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).