2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide

C15H14ClNO4S — CID 651430

IUPAC2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(O)c1
InChIInChI=1S/C15H14ClNO4S/c1-2-22(20,21)10-7-8-13(14(18)9-10)17-15(19)11-5-3-4-6-12(11)16/h3-9,18H,2H2,1H3,(H,17,19)
InChIKeyOTYPEMONAVXHNH-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.09
Rot. Bonds4

About 2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide

2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide (PubChem CID 651430) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide
PubChem CID651430
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(O)c1
InChIInChI=1S/C15H14ClNO4S/c1-2-22(20,21)10-7-8-13(14(18)9-10)17-15(19)11-5-3-4-6-12(11)16/h3-9,18H,2H2,1H3,(H,17,19)
InChIKeyOTYPEMONAVXHNH-UHFFFAOYSA-N
XLogP3.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide (CID 651430) is 2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide is CCS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(O)c1.
What is the InChIKey of 2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The InChIKey is OTYPEMONAVXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-2-22(20,21)10-7-8-13(14(18)9-10)17-15(19)11-5-3-4-6-12(11)16/h3-9,18H,2H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide?
2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide has a molecular weight of 339.80 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethylsulfonyl-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 651430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).