N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

C15H13N3O3S2 — CID 118732063

IUPACN-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cccc(-c3csc(=O)[nH]3)c2)cc1
InChIInChI=1S/C15H13N3O3S2/c16-11-4-6-12(7-5-11)18-23(20,21)13-3-1-2-10(8-13)14-9-22-15(19)17-14/h1-9,18H,16H2,(H,17,19)
InChIKeyBMBPNVJVDLJELX-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.49
Rot. Bonds4

About N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 118732063) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID118732063
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC NameN-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cccc(-c3csc(=O)[nH]3)c2)cc1
InChIInChI=1S/C15H13N3O3S2/c16-11-4-6-12(7-5-11)18-23(20,21)13-3-1-2-10(8-13)14-9-22-15(19)17-14/h1-9,18H,16H2,(H,17,19)
InChIKeyBMBPNVJVDLJELX-UHFFFAOYSA-N
XLogP2.49
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (CID 118732063) is N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is Nc1ccc(NS(=O)(=O)c2cccc(-c3csc(=O)[nH]3)c2)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is BMBPNVJVDLJELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c16-11-4-6-12(7-5-11)18-23(20,21)13-3-1-2-10(8-13)14-9-22-15(19)17-14/h1-9,18H,16H2,(H,17,19).
What are the key properties of N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 347.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118732063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).