4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide

C9H8ClN3O2S2 — CID 122179676

IUPAC4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc(Cl)s2)cc1
InChIInChI=1S/C9H8ClN3O2S2/c10-8-5-12-9(16-8)13-6-1-3-7(4-2-6)17(11,14)15/h1-5H,(H,12,13)(H2,11,14,15)
InChIKeyWHMDVQDXQRHKIN-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.19
Rot. Bonds3

About 4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide

4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 122179676) has the molecular formula C9H8ClN3O2S2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID122179676
Molecular FormulaC9H8ClN3O2S2
Molecular Weight289.77 g/mol
Exact Mass288.97
IUPAC Name4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc(Cl)s2)cc1
InChIInChI=1S/C9H8ClN3O2S2/c10-8-5-12-9(16-8)13-6-1-3-7(4-2-6)17(11,14)15/h1-5H,(H,12,13)(H2,11,14,15)
InChIKeyWHMDVQDXQRHKIN-UHFFFAOYSA-N
XLogP2.19
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 122179676) is 4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncc(Cl)s2)cc1.
What is the InChIKey of 4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is WHMDVQDXQRHKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S2/c10-8-5-12-9(16-8)13-6-1-3-7(4-2-6)17(11,14)15/h1-5H,(H,12,13)(H2,11,14,15).
What are the key properties of 4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 289.77 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 122179676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).