N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide

C12H7Cl2F2NO4S2 — CID 112839221

IUPACN-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C12H7Cl2F2NO4S2/c13-9-5-8(10(14)22-9)23(19,20)17-11(18)6-3-1-2-4-7(6)21-12(15)16/h1-5,12H,(H,17,18)
InChIKeyHBHGVQQNHQDILP-UHFFFAOYSA-N
MW402.23 g/mol
LogP3.78
Rot. Bonds5

About N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide

N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide (PubChem CID 112839221) has the molecular formula C12H7Cl2F2NO4S2 and a molecular weight of 402.23 g/mol. Its IUPAC name is N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide
PubChem CID112839221
Molecular FormulaC12H7Cl2F2NO4S2
Molecular Weight402.23 g/mol
Exact Mass400.92
IUPAC NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C12H7Cl2F2NO4S2/c13-9-5-8(10(14)22-9)23(19,20)17-11(18)6-3-1-2-4-7(6)21-12(15)16/h1-5,12H,(H,17,18)
InChIKeyHBHGVQQNHQDILP-UHFFFAOYSA-N
XLogP3.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide (CID 112839221) is N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide is O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide?
The InChIKey is HBHGVQQNHQDILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2NO4S2/c13-9-5-8(10(14)22-9)23(19,20)17-11(18)6-3-1-2-4-7(6)21-12(15)16/h1-5,12H,(H,17,18).
What are the key properties of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide?
N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide has a molecular weight of 402.23 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 112839221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).