2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid

C12H7BrClNO3S — CID 43354294

IUPAC2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1csc(Br)c1
InChIInChI=1S/C12H7BrClNO3S/c13-10-3-6(5-19-10)11(16)15-9-4-7(14)1-2-8(9)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyUNIBTSOXARVAOC-UHFFFAOYSA-N
MW360.62 g/mol
LogP4.11
Rot. Bonds3

About 2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid

2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid (PubChem CID 43354294) has the molecular formula C12H7BrClNO3S and a molecular weight of 360.62 g/mol. Its IUPAC name is 2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid
PubChem CID43354294
Molecular FormulaC12H7BrClNO3S
Molecular Weight360.62 g/mol
Exact Mass358.90
IUPAC Name2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1csc(Br)c1
InChIInChI=1S/C12H7BrClNO3S/c13-10-3-6(5-19-10)11(16)15-9-4-7(14)1-2-8(9)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyUNIBTSOXARVAOC-UHFFFAOYSA-N
XLogP4.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.62
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[(5-bromothiophene-3-carbonyl)amino]benzoic acid
CID 107959455
N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide
CID 107959269
4-chloro-2-[(5-nitrothiophene-3-carbonyl)amino]benzoic acid
CID 60811702
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate
CID 47249749
5-bromo-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 43424533
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
4-chloro-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727969
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-4-chlorobenzoic acid
CID 79981518

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid (CID 43354294) is 2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid is O=C(Nc1cc(Cl)ccc1C(=O)O)c1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid?
The InChIKey is UNIBTSOXARVAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO3S/c13-10-3-6(5-19-10)11(16)15-9-4-7(14)1-2-8(9)12(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid?
2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid has a molecular weight of 360.62 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 43354294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).