4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide

C15H13N3O2S2 — CID 134096611

IUPAC4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(-c3cnsc3)cc2)cc1
InChIInChI=1S/C15H13N3O2S2/c16-13-3-7-15(8-4-13)22(19,20)18-14-5-1-11(2-6-14)12-9-17-21-10-12/h1-10,18H,16H2
InChIKeyXYGVBXJFYYITSC-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.19
Rot. Bonds4

About 4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide

4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 134096611) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID134096611
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(-c3cnsc3)cc2)cc1
InChIInChI=1S/C15H13N3O2S2/c16-13-3-7-15(8-4-13)22(19,20)18-14-5-1-11(2-6-14)12-9-17-21-10-12/h1-10,18H,16H2
InChIKeyXYGVBXJFYYITSC-UHFFFAOYSA-N
XLogP3.19
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide (CID 134096611) is 4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(-c3cnsc3)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is XYGVBXJFYYITSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c16-13-3-7-15(8-4-13)22(19,20)18-14-5-1-11(2-6-14)12-9-17-21-10-12/h1-10,18H,16H2.
What are the key properties of 4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide?
4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 331.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1,2-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 134096611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).