4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide

C21H20Cl2N4O4S — CID 25041460

IUPAC4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H20Cl2N4O4S/c1-31-21-20(24-11-12-25-21)27-32(29,30)17-9-7-16(8-10-17)26-19(28)4-2-3-14-5-6-15(22)13-18(14)23/h5-13H,2-4H2,1H3,(H,24,27)(H,26,28)
InChIKeyVMIXTQRNCXLJKH-UHFFFAOYSA-N
MW495.39 g/mol
LogP4.55
Rot. Bonds9

About 4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide

4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide (PubChem CID 25041460) has the molecular formula C21H20Cl2N4O4S and a molecular weight of 495.39 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide
PubChem CID25041460
Molecular FormulaC21H20Cl2N4O4S
Molecular Weight495.39 g/mol
Exact Mass494.06
IUPAC Name4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H20Cl2N4O4S/c1-31-21-20(24-11-12-25-21)27-32(29,30)17-9-7-16(8-10-17)26-19(28)4-2-3-14-5-6-15(22)13-18(14)23/h5-13H,2-4H2,1H3,(H,24,27)(H,26,28)
InChIKeyVMIXTQRNCXLJKH-UHFFFAOYSA-N
XLogP4.55
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]propanamide
CID 54783023
2-(4-chloro-3-methylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782740
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
2-chloro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 22693790
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide
CID 54783157
2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782757
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782936
2-methoxyethyl 4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 54783030
4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 3568718
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 54783017

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide (CID 25041460) is 4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide?
The InChIKey is VMIXTQRNCXLJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O4S/c1-31-21-20(24-11-12-25-21)27-32(29,30)17-9-7-16(8-10-17)26-19(28)4-2-3-14-5-6-15(22)13-18(14)23/h5-13H,2-4H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide?
4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide has a molecular weight of 495.39 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 25041460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).