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

C10H11N3O3S2 — CID 28509857

IUPAC3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nccs2)cc1N
InChIInChI=1S/C10H11N3O3S2/c1-16-9-3-2-7(6-8(9)11)18(14,15)13-10-12-4-5-17-10/h2-6H,11H2,1H3,(H,12,13)
InChIKeyIUGOXTRVGYBNFT-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.53
Rot. Bonds4

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

3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 28509857) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID28509857
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC Name3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nccs2)cc1N
InChIInChI=1S/C10H11N3O3S2/c1-16-9-3-2-7(6-8(9)11)18(14,15)13-10-12-4-5-17-10/h2-6H,11H2,1H3,(H,12,13)
InChIKeyIUGOXTRVGYBNFT-UHFFFAOYSA-N
XLogP1.53
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479503
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60823937
3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 29041502
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58190038
5-(3-aminoprop-1-ynyl)-2-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60845136
(E)-3-(3,4-dimethoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1189511
2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110759565
3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
CID 107594685

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 28509857) is 3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nccs2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IUGOXTRVGYBNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S2/c1-16-9-3-2-7(6-8(9)11)18(14,15)13-10-12-4-5-17-10/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 285.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 28509857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).