2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide

C12H14ClNO4S — CID 106502019

IUPAC2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide
SMILESO=C(NCC1CCCS1(=O)=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H14ClNO4S/c13-11-4-3-8(15)6-10(11)12(16)14-7-9-2-1-5-19(9,17)18/h3-4,6,9,15H,1-2,5,7H2,(H,14,16)
InChIKeyBYQOYSWVLZBKNE-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.35
Rot. Bonds3

About 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide

2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide (PubChem CID 106502019) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide
PubChem CID106502019
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide
SMILESO=C(NCC1CCCS1(=O)=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H14ClNO4S/c13-11-4-3-8(15)6-10(11)12(16)14-7-9-2-1-5-19(9,17)18/h3-4,6,9,15H,1-2,5,7H2,(H,14,16)
InChIKeyBYQOYSWVLZBKNE-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]-2,5-dihydroxybenzamide
CID 107723405
3-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxybenzamide
CID 81040556
N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 81040165
4-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-3-nitrobenzamide
CID 81042706
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-5-fluorobenzamide
CID 81041232
N-[(1,1-dioxothiolan-2-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107032927
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoro-5-methylbenzamide
CID 81038448
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoro-3-methylbenzamide
CID 81344083
3-bromo-5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 103827085
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide
CID 81039861
5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide
CID 107258047

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide (CID 106502019) is 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide is O=C(NCC1CCCS1(=O)=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide?
The InChIKey is BYQOYSWVLZBKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c13-11-4-3-8(15)6-10(11)12(16)14-7-9-2-1-5-19(9,17)18/h3-4,6,9,15H,1-2,5,7H2,(H,14,16).
What are the key properties of 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide?
2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide has a molecular weight of 303.77 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-hydroxybenzamide is sourced from PubChem (CID 106502019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).