2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid

C20H13Cl2FN2O5S — CID 58268135

IUPAC2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2c(F)cccc2C(=O)O)ccc1Cl
InChIInChI=1S/C20H13Cl2FN2O5S/c1-10-7-12(5-6-14(10)22)31(29,30)25-16-8-11(21)9-24-18(16)19(26)17-13(20(27)28)3-2-4-15(17)23/h2-9,25H,1H3,(H,27,28)
InChIKeyPUNFHSZASIMYDX-UHFFFAOYSA-N
MW483.30 g/mol
LogP4.57
Rot. Bonds6

About 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid

2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid (PubChem CID 58268135) has the molecular formula C20H13Cl2FN2O5S and a molecular weight of 483.30 g/mol. Its IUPAC name is 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
PubChem CID58268135
Molecular FormulaC20H13Cl2FN2O5S
Molecular Weight483.30 g/mol
Exact Mass481.99
IUPAC Name2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2c(F)cccc2C(=O)O)ccc1Cl
InChIInChI=1S/C20H13Cl2FN2O5S/c1-10-7-12(5-6-14(10)22)31(29,30)25-16-8-11(21)9-24-18(16)19(26)17-13(20(27)28)3-2-4-15(17)23/h2-9,25H,1H3,(H,27,28)
InChIKeyPUNFHSZASIMYDX-UHFFFAOYSA-N
XLogP4.57
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.30
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268348
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
3-bromo-N-[5-chloro-2-(2-fluoro-6-methoxybenzoyl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11699761
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
CID 58268152
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoic acid;methane;methyl 2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoate
CID 159754215
N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268125
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate
CID 59849998

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid?
The IUPAC name of 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid (CID 58268135) is 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid?
The canonical SMILES for 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid is Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2c(F)cccc2C(=O)O)ccc1Cl.
What is the InChIKey of 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid?
The InChIKey is PUNFHSZASIMYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN2O5S/c1-10-7-12(5-6-14(10)22)31(29,30)25-16-8-11(21)9-24-18(16)19(26)17-13(20(27)28)3-2-4-15(17)23/h2-9,25H,1H3,(H,27,28).
What are the key properties of 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid?
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid has a molecular weight of 483.30 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid is sourced from PubChem (CID 58268135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).