2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide

C21H19ClN4O6S — CID 46556857

IUPAC2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccnc2OC)ccc1Cl
InChIInChI=1S/C21H19ClN4O6S/c1-31-17-8-4-3-7-16(17)26-33(29,30)18-12-13(9-10-15(18)22)19(27)24-25-20(28)14-6-5-11-23-21(14)32-2/h3-12,26H,1-2H3,(H,24,27)(H,25,28)
InChIKeyWAQQAXPUFLOXIO-UHFFFAOYSA-N
MW490.93 g/mol
LogP2.63
Rot. Bonds7

About 2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide

2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 46556857) has the molecular formula C21H19ClN4O6S and a molecular weight of 490.93 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID46556857
Molecular FormulaC21H19ClN4O6S
Molecular Weight490.93 g/mol
Exact Mass490.07
IUPAC Name2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccnc2OC)ccc1Cl
InChIInChI=1S/C21H19ClN4O6S/c1-31-17-8-4-3-7-16(17)26-33(29,30)18-12-13(9-10-15(18)22)19(27)24-25-20(28)14-6-5-11-23-21(14)32-2/h3-12,26H,1-2H3,(H,24,27)(H,25,28)
InChIKeyWAQQAXPUFLOXIO-UHFFFAOYSA-N
XLogP2.63
TPSA135.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.93
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24540494
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-3-pyridinyl)benzamide
CID 55869382
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 35993548
2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 39977662
4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride
CID 53314731
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31840810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 46556857) is 2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccnc2OC)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is WAQQAXPUFLOXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O6S/c1-31-17-8-4-3-7-16(17)26-33(29,30)18-12-13(9-10-15(18)22)19(27)24-25-20(28)14-6-5-11-23-21(14)32-2/h3-12,26H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 490.93 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 46556857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).