2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide

C20H18ClN3O5S — CID 2683748

IUPAC2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)c(OC)c1
InChIInChI=1S/C20H18ClN3O5S/c1-28-13-7-9-17(18(11-13)29-2)23-20(25)15-5-3-4-6-16(15)24-30(26,27)14-8-10-19(21)22-12-14/h3-12,24H,1-2H3,(H,23,25)
InChIKeyZGGMXTPBHMJEMV-UHFFFAOYSA-N
MW447.90 g/mol
LogP3.81
Rot. Bonds7

About 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide

2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide (PubChem CID 2683748) has the molecular formula C20H18ClN3O5S and a molecular weight of 447.90 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
PubChem CID2683748
Molecular FormulaC20H18ClN3O5S
Molecular Weight447.90 g/mol
Exact Mass447.07
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)c(OC)c1
InChIInChI=1S/C20H18ClN3O5S/c1-28-13-7-9-17(18(11-13)29-2)23-20(25)15-5-3-4-6-16(15)24-30(26,27)14-8-10-19(21)22-12-14/h3-12,24H,1-2H3,(H,23,25)
InChIKeyZGGMXTPBHMJEMV-UHFFFAOYSA-N
XLogP3.81
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide
CID 71346608
N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide
CID 71346631
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide
CID 71346601
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
CID 18575745
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide (CID 2683748) is 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)c(OC)c1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide?
The InChIKey is ZGGMXTPBHMJEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O5S/c1-28-13-7-9-17(18(11-13)29-2)23-20(25)15-5-3-4-6-16(15)24-30(26,27)14-8-10-19(21)22-12-14/h3-12,24H,1-2H3,(H,23,25).
What are the key properties of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide?
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide has a molecular weight of 447.90 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 2683748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).