4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide

C23H20ClN5O4S — CID 24628589

IUPAC4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3c(C)nc4ccccn34)c2)c1
InChIInChI=1S/C23H20ClN5O4S/c1-14-6-5-7-16(12-14)28-34(32,33)17-9-10-19(24)18(13-17)22(30)26-27-23(31)21-15(2)25-20-8-3-4-11-29(20)21/h3-13,28H,1-2H3,(H,26,30)(H,27,31)
InChIKeyNEGILZUGGCVGFK-UHFFFAOYSA-N
MW497.96 g/mol
LogP3.48
Rot. Bonds5

About 4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide

4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 24628589) has the molecular formula C23H20ClN5O4S and a molecular weight of 497.96 g/mol. Its IUPAC name is 4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide
PubChem CID24628589
Molecular FormulaC23H20ClN5O4S
Molecular Weight497.96 g/mol
Exact Mass497.09
IUPAC Name4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3c(C)nc4ccccn34)c2)c1
InChIInChI=1S/C23H20ClN5O4S/c1-14-6-5-7-16(12-14)28-34(32,33)17-9-10-19(24)18(13-17)22(30)26-27-23(31)21-15(2)25-20-8-3-4-11-29(20)21/h3-13,28H,1-2H3,(H,26,30)(H,27,31)
InChIKeyNEGILZUGGCVGFK-UHFFFAOYSA-N
XLogP3.48
TPSA121.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 30797973
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
2-chloro-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 86945375
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25407688
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide (CID 24628589) is 4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3c(C)nc4ccccn34)c2)c1.
What is the InChIKey of 4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is NEGILZUGGCVGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4S/c1-14-6-5-7-16(12-14)28-34(32,33)17-9-10-19(24)18(13-17)22(30)26-27-23(31)21-15(2)25-20-8-3-4-11-29(20)21/h3-13,28H,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide?
4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 497.96 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 24628589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).