5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

C9H9ClN2O2S3 — CID 110717446

IUPAC5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H9ClN2O2S3/c1-6-12-7(5-15-6)4-11-17(13,14)9-3-2-8(10)16-9/h2-3,5,11H,4H2,1H3
InChIKeyBJGWXJXWFWVKNX-UHFFFAOYSA-N
MW308.84 g/mol
LogP2.64
Rot. Bonds4

About 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110717446) has the molecular formula C9H9ClN2O2S3 and a molecular weight of 308.84 g/mol. Its IUPAC name is 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID110717446
Molecular FormulaC9H9ClN2O2S3
Molecular Weight308.84 g/mol
Exact Mass307.95
IUPAC Name5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H9ClN2O2S3/c1-6-12-7(5-15-6)4-11-17(13,14)9-3-2-8(10)16-9/h2-3,5,11H,4H2,1H3
InChIKeyBJGWXJXWFWVKNX-UHFFFAOYSA-N
XLogP2.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-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

5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61284002
5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714699
5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide
CID 110873480
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 61284804
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
CID 110446126
2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536
5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 110719630
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63945805
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47044572

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (CID 110717446) is 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(Cl)s2)cs1.
What is the InChIKey of 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is BJGWXJXWFWVKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S3/c1-6-12-7(5-15-6)4-11-17(13,14)9-3-2-8(10)16-9/h2-3,5,11H,4H2,1H3.
What are the key properties of 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 308.84 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110717446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).