N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide

C12H11N3O2S3 — CID 42545354

IUPACN-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3nsnc3c2)c(C)s1
InChIInChI=1S/C12H11N3O2S3/c1-7-5-12(8(2)18-7)20(16,17)15-9-3-4-10-11(6-9)14-19-13-10/h3-6,15H,1-2H3
InChIKeyZYPSSMORPUFPRF-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.17
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide

N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 42545354) has the molecular formula C12H11N3O2S3 and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID42545354
Molecular FormulaC12H11N3O2S3
Molecular Weight325.44 g/mol
Exact Mass325.00
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3nsnc3c2)c(C)s1
InChIInChI=1S/C12H11N3O2S3/c1-7-5-12(8(2)18-7)20(16,17)15-9-3-4-10-11(6-9)14-19-13-10/h3-6,15H,1-2H3
InChIKeyZYPSSMORPUFPRF-UHFFFAOYSA-N
XLogP3.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-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

N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 61221447
N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide
CID 42545343
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
CID 47072250
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
CID 39837092
2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
CID 75521882
1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075764
2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
CID 126833361
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide (CID 42545354) is N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3nsnc3c2)c(C)s1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is ZYPSSMORPUFPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S3/c1-7-5-12(8(2)18-7)20(16,17)15-9-3-4-10-11(6-9)14-19-13-10/h3-6,15H,1-2H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide?
N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 42545354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).