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

C10H11N3O2S2 — CID 23274666

IUPAC4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCN(c1nccs1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H11N3O2S2/c1-13(10-12-6-7-16-10)17(14,15)9-4-2-8(11)3-5-9/h2-7H,11H2,1H3
InChIKeyMLDZWLVATHRXRZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.55
Rot. Bonds3

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

4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 23274666) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID23274666
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCN(c1nccs1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H11N3O2S2/c1-13(10-12-6-7-16-10)17(14,15)9-4-2-8(11)3-5-9/h2-7H,11H2,1H3
InChIKeyMLDZWLVATHRXRZ-UHFFFAOYSA-N
XLogP1.55
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
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-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 23274666) is 4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is CN(c1nccs1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is MLDZWLVATHRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-13(10-12-6-7-16-10)17(14,15)9-4-2-8(11)3-5-9/h2-7H,11H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 23274666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).