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

C11H13N3O3S2 — CID 63829495

IUPAC5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCc1cscn1
InChIInChI=1S/C11H13N3O3S2/c1-17-10-3-2-8(12)4-11(10)19(15,16)14-5-9-6-18-7-13-9/h2-4,6-7,14H,5,12H2,1H3
InChIKeyKMGZNDBWEHHXRE-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.21
Rot. Bonds5

About 5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 63829495) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID63829495
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCc1cscn1
InChIInChI=1S/C11H13N3O3S2/c1-17-10-3-2-8(12)4-11(10)19(15,16)14-5-9-6-18-7-13-9/h2-4,6-7,14H,5,12H2,1H3
InChIKeyKMGZNDBWEHHXRE-UHFFFAOYSA-N
XLogP1.21
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.21
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

5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 110717401
methyl 4-amino-2-(1,3-thiazol-4-ylmethylsulfamoyl)benzoate
CID 102931258
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830021
5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 80645779
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 61128154
5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61285259
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 106368983
3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107343564
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
5-amino-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63831484

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 63829495) is 5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCc1cscn1.
What is the InChIKey of 5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is KMGZNDBWEHHXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-17-10-3-2-8(12)4-11(10)19(15,16)14-5-9-6-18-7-13-9/h2-4,6-7,14H,5,12H2,1H3.
What are the key properties of 5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 299.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63829495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).