2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid

C12H8Cl2N2O4S — CID 63652535

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-7-3-4-9(14)10(6-7)21(19,20)16-11-8(12(17)18)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyDJDXNSIUIVMYEK-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.89
Rot. Bonds4

About 2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid

2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 63652535) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID63652535
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-7-3-4-9(14)10(6-7)21(19,20)16-11-8(12(17)18)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyDJDXNSIUIVMYEK-UHFFFAOYSA-N
XLogP2.89
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738922
2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63653933
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654634
2,5-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102989905
2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 4739578
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356
2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654276
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2,5-dichloro-N-(2-phenoxy-3-pyridinyl)benzenesulfonamide
CID 155812324
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 63652535) is 2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is DJDXNSIUIVMYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-7-3-4-9(14)10(6-7)21(19,20)16-11-8(12(17)18)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 347.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63652535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).