2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide

C14H13N3O2S2 — CID 91679872

IUPAC2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C14H13N3O2S2/c1-9-2-4-10(5-3-9)17-21(18,19)11-6-7-12-13(8-11)20-14(15)16-12/h2-8,17H,1H3,(H2,15,16)
InChIKeyNYMQASJFYJJHTO-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide

2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide (PubChem CID 91679872) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide
PubChem CID91679872
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C14H13N3O2S2/c1-9-2-4-10(5-3-9)17-21(18,19)11-6-7-12-13(8-11)20-14(15)16-12/h2-8,17H,1H3,(H2,15,16)
InChIKeyNYMQASJFYJJHTO-UHFFFAOYSA-N
XLogP2.99
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
CID 53433226
2-amino-1,3-benzothiazole-6-sulfonyl fluoride
CID 130156167
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46392642
3,4-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 2821932
6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549906
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
4-acetyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392649
N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 7553647
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392639
N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfonylbenzenesulfonamide
CID 46534623
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46392568
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide (CID 91679872) is 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3nc(N)sc3c2)cc1.
What is the InChIKey of 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide?
The InChIKey is NYMQASJFYJJHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9-2-4-10(5-3-9)17-21(18,19)11-6-7-12-13(8-11)20-14(15)16-12/h2-8,17H,1H3,(H2,15,16).
What are the key properties of 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide?
2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 91679872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).