2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid

C10H10ClNO3S — CID 63724953

IUPAC2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
SMILESCSCC(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C10H10ClNO3S/c1-16-5-8(13)12-7-4-2-3-6(11)9(7)10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyFKTRQAQXHRVHKL-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.34
Rot. Bonds4

About 2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid

2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid (PubChem CID 63724953) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
PubChem CID63724953
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
SMILESCSCC(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C10H10ClNO3S/c1-16-5-8(13)12-7-4-2-3-6(11)9(7)10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyFKTRQAQXHRVHKL-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266
2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 63723631
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256
2-(4-aminobutanoylamino)-6-chlorobenzoic acid
CID 63722595
2-chloro-6-(3-ethoxypropanoylamino)benzoic acid
CID 63724109
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965
2-chloro-6-[[2-(2-fluorophenyl)acetyl]amino]benzoic acid
CID 63723434
2-(6-aminohexanoylamino)-6-chlorobenzoic acid
CID 63724633
2-[3-(aminomethyl)pentanoylamino]-6-chlorobenzoic acid
CID 81079723
2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid
CID 64612265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid (CID 63724953) is 2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid is CSCC(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid?
The InChIKey is FKTRQAQXHRVHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-16-5-8(13)12-7-4-2-3-6(11)9(7)10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid?
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid has a molecular weight of 259.71 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid is sourced from PubChem (CID 63724953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).