2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid

C15H12ClN3O4S — CID 167781465

IUPAC2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CNS(=O)(=O)c1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C15H12ClN3O4S/c16-10-5-12-13(8-18-14(12)17-7-10)24(22,23)19-6-9-3-1-2-4-11(9)15(20)21/h1-5,7-8,19H,6H2,(H,17,18)(H,20,21)
InChIKeyMVQCVFKVIRRCLC-UHFFFAOYSA-N
MW365.80 g/mol
LogP2.39
Rot. Bonds5

About 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid

2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid (PubChem CID 167781465) has the molecular formula C15H12ClN3O4S and a molecular weight of 365.80 g/mol. Its IUPAC name is 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid
PubChem CID167781465
Molecular FormulaC15H12ClN3O4S
Molecular Weight365.80 g/mol
Exact Mass365.02
IUPAC Name2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CNS(=O)(=O)c1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C15H12ClN3O4S/c16-10-5-12-13(8-18-14(12)17-7-10)24(22,23)19-6-9-3-1-2-4-11(9)15(20)21/h1-5,7-8,19H,6H2,(H,17,18)(H,20,21)
InChIKeyMVQCVFKVIRRCLC-UHFFFAOYSA-N
XLogP2.39
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid with MolForge

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Related Compounds

3-[[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]methyl]benzoic acid
CID 166210716
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79531355
5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 166317097
2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
CID 45411146
4-[(2-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780221
6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873154
5-[benzenesulfonyl-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-chlorophenyl)methyl]pyrimidin-2-amine
CID 69074016
5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid
CID 57432301
2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
CID 110823533
2-[[[5-(3,5-dichloroanilino)-1H-1,2,4-triazol-3-yl]amino]methyl]benzoic acid
CID 78319024
2-(azidomethyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 86634457

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid?
The IUPAC name of 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid (CID 167781465) is 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid.
What is the SMILES notation for 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid?
The canonical SMILES for 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid is O=C(O)c1ccccc1CNS(=O)(=O)c1c[nH]c2ncc(Cl)cc12.
What is the InChIKey of 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid?
The InChIKey is MVQCVFKVIRRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S/c16-10-5-12-13(8-18-14(12)17-7-10)24(22,23)19-6-9-3-1-2-4-11(9)15(20)21/h1-5,7-8,19H,6H2,(H,17,18)(H,20,21).
What are the key properties of 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid?
2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid has a molecular weight of 365.80 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid is sourced from PubChem (CID 167781465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).