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

C10H13N3O2S2 — CID 23274670

IUPAC4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCN1C=CSC1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H13N3O2S2/c1-13-6-7-16-10(13)12-17(14,15)9-4-2-8(11)3-5-9/h2-7,10,12H,11H2,1H3
InChIKeyAJSZMQDUOYJOBT-UHFFFAOYSA-N
MW271.37 g/mol
LogP0.98
Rot. Bonds3

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

4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 23274670) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID23274670
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCN1C=CSC1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H13N3O2S2/c1-13-6-7-16-10(13)12-17(14,15)9-4-2-8(11)3-5-9/h2-7,10,12H,11H2,1H3
InChIKeyAJSZMQDUOYJOBT-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 50.98
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

4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide
CID 163749652
4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide
CID 57288290
4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide
CID 61125705
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
N-(2-adamantyl)-4-aminobenzenesulfonamide
CID 11771200
4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 104600135
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 104600117
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373442
tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256090
4-(azirin-1-ylsulfonyl)aniline
CID 149149794

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide (CID 23274670) is 4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide is CN1C=CSC1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is AJSZMQDUOYJOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-13-6-7-16-10(13)12-17(14,15)9-4-2-8(11)3-5-9/h2-7,10,12H,11H2,1H3.
What are the key properties of 4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide?
4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 271.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 23274670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).