5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid

C11H8Br2N2O4S2 — CID 43604385

IUPAC5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid
SMILESNc1ccc(NS(=O)(=O)c2cc(Br)sc2Br)c(C(=O)O)c1
InChIInChI=1S/C11H8Br2N2O4S2/c12-9-4-8(10(13)20-9)21(18,19)15-7-2-1-5(14)3-6(7)11(16)17/h1-4,15H,14H2,(H,16,17)
InChIKeyIZWWFILKYBQWRB-UHFFFAOYSA-N
MW456.14 g/mol
LogP3.35
Rot. Bonds4

About 5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid

5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid (PubChem CID 43604385) has the molecular formula C11H8Br2N2O4S2 and a molecular weight of 456.14 g/mol. Its IUPAC name is 5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid
PubChem CID43604385
Molecular FormulaC11H8Br2N2O4S2
Molecular Weight456.14 g/mol
Exact Mass453.83
IUPAC Name5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid
SMILESNc1ccc(NS(=O)(=O)c2cc(Br)sc2Br)c(C(=O)O)c1
InChIInChI=1S/C11H8Br2N2O4S2/c12-9-4-8(10(13)20-9)21(18,19)15-7-2-1-5(14)3-6(7)11(16)17/h1-4,15H,14H2,(H,16,17)
InChIKeyIZWWFILKYBQWRB-UHFFFAOYSA-N
XLogP3.35
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.14
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-5-iodobenzoic acid
CID 63408848
5-amino-2-(sulfamoylamino)benzoic acid
CID 114958710
2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
CID 60651453
2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 71439747
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833131
5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298604
5-amino-2-(methylamino)benzoic acid
CID 19006283
5-amino-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981158
5-bromo-2-[(4-bromo-2,1,3-benzothiadiazol-7-yl)sulfonylamino]benzoic acid
CID 1092380
2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide
CID 43604086
2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330293
2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 103601783

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid?
The IUPAC name of 5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid (CID 43604385) is 5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid is Nc1ccc(NS(=O)(=O)c2cc(Br)sc2Br)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid?
The InChIKey is IZWWFILKYBQWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O4S2/c12-9-4-8(10(13)20-9)21(18,19)15-7-2-1-5(14)3-6(7)11(16)17/h1-4,15H,14H2,(H,16,17).
What are the key properties of 5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid?
5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid has a molecular weight of 456.14 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 43604385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).