3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid

C13H10ClNO3S — CID 107046881

IUPAC3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1ccsc1C(=O)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C13H10ClNO3S/c1-7-5-6-19-11(7)12(16)15-10-8(13(17)18)3-2-4-9(10)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyVFEZEAFHBBOOTD-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.66
Rot. Bonds3

About 3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid

3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid (PubChem CID 107046881) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
PubChem CID107046881
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Name3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1ccsc1C(=O)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C13H10ClNO3S/c1-7-5-6-19-11(7)12(16)15-10-8(13(17)18)3-2-4-9(10)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyVFEZEAFHBBOOTD-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
3-chloro-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 107046983
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 107314389
3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 107046486
3-chloro-2-(prop-2-enoylamino)benzoic acid
CID 107047054
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
3-chloro-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107047411
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid (CID 107046881) is 3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid is Cc1ccsc1C(=O)Nc1c(Cl)cccc1C(=O)O.
What is the InChIKey of 3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is VFEZEAFHBBOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c1-7-5-6-19-11(7)12(16)15-10-8(13(17)18)3-2-4-9(10)14/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 295.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107046881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).