4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide

C17H14ClNO3S — CID 2856807

IUPAC4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide
SMILESO=C(c1ccc(Cl)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H14ClNO3S/c18-14-8-6-13(7-9-14)17(20)19(15-4-2-1-3-5-15)16-10-11-23(21,22)12-16/h1-11,16H,12H2
InChIKeyYDWZCQMAAZRWOG-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.30
Rot. Bonds3

About 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide

4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide (PubChem CID 2856807) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide
PubChem CID2856807
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Name4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide
SMILESO=C(c1ccc(Cl)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H14ClNO3S/c18-14-8-6-13(7-9-14)17(20)19(15-4-2-1-3-5-15)16-10-11-23(21,22)12-16/h1-11,16H,12H2
InChIKeyYDWZCQMAAZRWOG-UHFFFAOYSA-N
XLogP3.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide?
The IUPAC name of 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide (CID 2856807) is 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide.
What is the SMILES notation for 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide?
The canonical SMILES for 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide is O=C(c1ccc(Cl)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide?
The InChIKey is YDWZCQMAAZRWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c18-14-8-6-13(7-9-14)17(20)19(15-4-2-1-3-5-15)16-10-11-23(21,22)12-16/h1-11,16H,12H2.
What are the key properties of 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide?
4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide has a molecular weight of 347.82 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide is sourced from PubChem (CID 2856807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).