N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide

C12H10ClNO3S — CID 114344423

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
SMILESO=C(NCc1ccc(Cl)s1)c1cccc(O)c1O
InChIInChI=1S/C12H10ClNO3S/c13-10-5-4-7(18-10)6-14-12(17)8-2-1-3-9(15)11(8)16/h1-5,15-16H,6H2,(H,14,17)
InChIKeyRZVOHGGIRBYMDJ-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.74
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide

N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide (PubChem CID 114344423) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
PubChem CID114344423
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
SMILESO=C(NCc1ccc(Cl)s1)c1cccc(O)c1O
InChIInChI=1S/C12H10ClNO3S/c13-10-5-4-7(18-10)6-14-12(17)8-2-1-3-9(15)11(8)16/h1-5,15-16H,6H2,(H,14,17)
InChIKeyRZVOHGGIRBYMDJ-UHFFFAOYSA-N
XLogP2.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 115540742
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxy-N-methylbenzamide
CID 114344048
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide
CID 33177904
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-sulfanylbenzamide
CID 107030591
N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261709
N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434669
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
CID 113228296
N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956442
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106006505
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[(5-chlorothiophen-2-yl)methyl]-3-pyridin-4-yl-1H-indazole-7-carboxamide
CID 156886673

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide (CID 114344423) is N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide is O=C(NCc1ccc(Cl)s1)c1cccc(O)c1O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide?
The InChIKey is RZVOHGGIRBYMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c13-10-5-4-7(18-10)6-14-12(17)8-2-1-3-9(15)11(8)16/h1-5,15-16H,6H2,(H,14,17).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide has a molecular weight of 283.74 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 114344423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).