4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide

C9H9N3O2S2 — CID 5340

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IUPAC4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
InChIKeyJNMRHUJNCSQMMB-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.53
Rot. Bonds3

About 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 5340) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID5340
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
InChIKeyJNMRHUJNCSQMMB-UHFFFAOYSA-N
XLogP1.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Acetylsulfathiazole
CID 67183
Sodium sulfathiazole
CID 12285822
Sulfamethylthiazole
CID 68194
1-Phenyl-3-(2-thiazolyl)-2-thiourea
CID 719408
p-Nitrophenyl-2-aminothiazol-5-ylsulphone
CID 1535
2-Chloro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
CID 721139
4-((5-Isopropyl-1,3-thiazol-2-YL)amino)benzenesulfonamide
CID 5327097
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 1010637
N-(4-Thiazolin-2-ylidene)benzenesulfonamide
CID 236564
Thiazosulfone
CID 10124
2,2-dimethyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 503707
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 3148020

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 5340) is 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is JNMRHUJNCSQMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12).
What are the key properties of 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 255.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).