2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid

C12H7Cl3N2O4S — CID 51133066

IUPAC2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1Cl
InChIInChI=1S/C12H7Cl3N2O4S/c13-8-2-1-6(5-7(8)12(18)19)17-22(20,21)9-3-4-10(14)16-11(9)15/h1-5,17H,(H,18,19)
InChIKeyYZHTWKRDKPQZQP-UHFFFAOYSA-N
MW381.62 g/mol
LogP3.54
Rot. Bonds4

About 2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid

2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid (PubChem CID 51133066) has the molecular formula C12H7Cl3N2O4S and a molecular weight of 381.62 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
PubChem CID51133066
Molecular FormulaC12H7Cl3N2O4S
Molecular Weight381.62 g/mol
Exact Mass379.92
IUPAC Name2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1Cl
InChIInChI=1S/C12H7Cl3N2O4S/c13-8-2-1-6(5-7(8)12(18)19)17-22(20,21)9-3-4-10(14)16-11(9)15/h1-5,17H,(H,18,19)
InChIKeyYZHTWKRDKPQZQP-UHFFFAOYSA-N
XLogP3.54
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.62
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 106993313
2-chloro-5-(sulfoamino)benzoic acid
CID 169095231
S-[4-[(2,6-dichloro-3-pyridinyl)sulfonylamino]phenyl] N,N-dimethylcarbamothioate
CID 56507595
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150
2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
2-[(2,6-dichloro-3-pyridinyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 47088946
2-chloro-5-(cyclopropylsulfonylamino)benzoic acid
CID 62998220
2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
CID 29050395
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 60860714
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid
CID 10432094

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid (CID 51133066) is 2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid?
The InChIKey is YZHTWKRDKPQZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O4S/c13-8-2-1-6(5-7(8)12(18)19)17-22(20,21)9-3-4-10(14)16-11(9)15/h1-5,17H,(H,18,19).
What are the key properties of 2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid?
2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid has a molecular weight of 381.62 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 51133066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).