4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide

C14H12ClNO4S2 — CID 68979793

IUPAC4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)C=Cc1ccsc1
InChIInChI=1S/C14H12ClNO4S2/c1-20-13-8-11(15)2-3-12(13)14(17)16-22(18,19)7-5-10-4-6-21-9-10/h2-9H,1H3,(H,16,17)
InChIKeyNKWLONLRPQSZMZ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.14
Rot. Bonds5

About 4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide

4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide (PubChem CID 68979793) has the molecular formula C14H12ClNO4S2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
PubChem CID68979793
Molecular FormulaC14H12ClNO4S2
Molecular Weight357.84 g/mol
Exact Mass356.99
IUPAC Name4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)C=Cc1ccsc1
InChIInChI=1S/C14H12ClNO4S2/c1-20-13-8-11(15)2-3-12(13)14(17)16-22(18,19)7-5-10-4-6-21-9-10/h2-9H,1H3,(H,16,17)
InChIKeyNKWLONLRPQSZMZ-UHFFFAOYSA-N
XLogP3.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide (CID 68979793) is 4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide is COc1cc(Cl)ccc1C(=O)NS(=O)(=O)C=Cc1ccsc1.
What is the InChIKey of 4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
The InChIKey is NKWLONLRPQSZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S2/c1-20-13-8-11(15)2-3-12(13)14(17)16-22(18,19)7-5-10-4-6-21-9-10/h2-9H,1H3,(H,16,17).
What are the key properties of 4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
4-chloro-2-methoxy-N-(2-thiophen-3-ylethenylsulfonyl)benzamide has a molecular weight of 357.84 g/mol, XLogP of 3.14, 5 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-(2-thiophen-3-ylethenylsulfonyl)benzamide is sourced from PubChem (CID 68979793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).