2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid

C12H8BrClN2O4S — CID 104933701

IUPAC2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid
SMILESO=C(O)c1cccc(Cl)c1NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H8BrClN2O4S/c13-7-4-8(6-15-5-7)21(19,20)16-11-9(12(17)18)2-1-3-10(11)14/h1-6,16H,(H,17,18)
InChIKeyMMDKFYNGAZWIAP-UHFFFAOYSA-N
MW391.63 g/mol
LogP3.00
Rot. Bonds4

About 2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid

2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid (PubChem CID 104933701) has the molecular formula C12H8BrClN2O4S and a molecular weight of 391.63 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid
PubChem CID104933701
Molecular FormulaC12H8BrClN2O4S
Molecular Weight391.63 g/mol
Exact Mass389.91
IUPAC Name2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid
SMILESO=C(O)c1cccc(Cl)c1NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H8BrClN2O4S/c13-7-4-8(6-15-5-7)21(19,20)16-11-9(12(17)18)2-1-3-10(11)14/h1-6,16H,(H,17,18)
InChIKeyMMDKFYNGAZWIAP-UHFFFAOYSA-N
XLogP3.00
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 63113303
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
CID 45314134
3-chloro-2-(cyclohexylsulfonylamino)benzoic acid
CID 107049283
5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide
CID 81496242
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
CID 43235236
2-[(5-bromo-3-pyridinyl)sulfonylamino]-4-chlorobenzenecarbothioamide
CID 64919830
2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
5-bromo-N-(3-hydroxy-4-methylphenyl)pyridine-3-sulfonamide
CID 64794054
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 65498877
5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid
CID 66256105

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid (CID 104933701) is 2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid is O=C(O)c1cccc(Cl)c1NS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid?
The InChIKey is MMDKFYNGAZWIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O4S/c13-7-4-8(6-15-5-7)21(19,20)16-11-9(12(17)18)2-1-3-10(11)14/h1-6,16H,(H,17,18).
What are the key properties of 2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid?
2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid has a molecular weight of 391.63 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid is sourced from PubChem (CID 104933701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).