3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid

C12H6Cl3NO3S — CID 107048425

IUPAC3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1sccc1Cl
InChIInChI=1S/C12H6Cl3NO3S/c13-5-1-2-6(14)9(8(5)12(18)19)16-11(17)10-7(15)3-4-20-10/h1-4H,(H,16,17)(H,18,19)
InChIKeyPSXLZOKWHYPUAA-UHFFFAOYSA-N
MW350.61 g/mol
LogP4.66
Rot. Bonds3

About 3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid

3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid (PubChem CID 107048425) has the molecular formula C12H6Cl3NO3S and a molecular weight of 350.61 g/mol. Its IUPAC name is 3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid
PubChem CID107048425
Molecular FormulaC12H6Cl3NO3S
Molecular Weight350.61 g/mol
Exact Mass348.91
IUPAC Name3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1sccc1Cl
InChIInChI=1S/C12H6Cl3NO3S/c13-5-1-2-6(14)9(8(5)12(18)19)16-11(17)10-7(15)3-4-20-10/h1-4H,(H,16,17)(H,18,19)
InChIKeyPSXLZOKWHYPUAA-UHFFFAOYSA-N
XLogP4.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.61
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid
CID 107047863
N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645311
4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 80644550
3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 107046881
2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid
CID 107048547
N-carbamoyl-3-chlorothiophene-2-carboxamide
CID 80642165
N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 114244691
3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
CID 80641212
3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid
CID 107048071
2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80644266
4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645329
3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid
CID 107047930

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid (CID 107048425) is 3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid is O=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1sccc1Cl.
What is the InChIKey of 3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is PSXLZOKWHYPUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO3S/c13-5-1-2-6(14)9(8(5)12(18)19)16-11(17)10-7(15)3-4-20-10/h1-4H,(H,16,17)(H,18,19).
What are the key properties of 3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid?
3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 350.61 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107048425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).