4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide

C12H10ClNO4S2 — CID 47457586

IUPAC4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H10ClNO4S2/c1-18-10-7-8(13)4-5-9(10)12(15)14-20(16,17)11-3-2-6-19-11/h2-7H,1H3,(H,14,15)
InChIKeyNJEPCCCNYQIGOO-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.53
Rot. Bonds4

About 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide

4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide (PubChem CID 47457586) has the molecular formula C12H10ClNO4S2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide
PubChem CID47457586
Molecular FormulaC12H10ClNO4S2
Molecular Weight331.80 g/mol
Exact Mass330.97
IUPAC Name4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H10ClNO4S2/c1-18-10-7-8(13)4-5-9(10)12(15)14-20(16,17)11-3-2-6-19-11/h2-7H,1H3,(H,14,15)
InChIKeyNJEPCCCNYQIGOO-UHFFFAOYSA-N
XLogP2.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide 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 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide (CID 47457586) is 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide is COc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1cccs1.
What is the InChIKey of 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide?
The InChIKey is NJEPCCCNYQIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S2/c1-18-10-7-8(13)4-5-9(10)12(15)14-20(16,17)11-3-2-6-19-11/h2-7H,1H3,(H,14,15).
What are the key properties of 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide?
4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide has a molecular weight of 331.80 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-thiophen-2-ylsulfonylbenzamide is sourced from PubChem (CID 47457586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).