5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide

C25H20Cl2N2O4S — CID 66908825

IUPAC5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)cccc23)c1
InChIInChI=1S/C25H20Cl2N2O4S/c1-33-19-6-2-5-16(11-19)15-28-25(30)23-9-3-8-22-21(23)7-4-10-24(22)29-34(31,32)20-13-17(26)12-18(27)14-20/h2-14,29H,15H2,1H3,(H,28,30)
InChIKeyMBPBTLJDQOYSPQ-UHFFFAOYSA-N
MW515.42 g/mol
LogP5.89
Rot. Bonds7

About 5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide

5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide (PubChem CID 66908825) has the molecular formula C25H20Cl2N2O4S and a molecular weight of 515.42 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide
PubChem CID66908825
Molecular FormulaC25H20Cl2N2O4S
Molecular Weight515.42 g/mol
Exact Mass514.05
IUPAC Name5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)cccc23)c1
InChIInChI=1S/C25H20Cl2N2O4S/c1-33-19-6-2-5-16(11-19)15-28-25(30)23-9-3-8-22-21(23)7-4-10-24(22)29-34(31,32)20-13-17(26)12-18(27)14-20/h2-14,29H,15H2,1H3,(H,28,30)
InChIKeyMBPBTLJDQOYSPQ-UHFFFAOYSA-N
XLogP5.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.42
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide
CID 58496889
N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26549411
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide
CID 59534043
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
3,5-dichloro-N-(5-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 58496706
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2333220
2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 9495729
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of 5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide (CID 66908825) is 5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide is COc1cccc(CNC(=O)c2cccc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)cccc23)c1.
What is the InChIKey of 5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide?
The InChIKey is MBPBTLJDQOYSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O4S/c1-33-19-6-2-5-16(11-19)15-28-25(30)23-9-3-8-22-21(23)7-4-10-24(22)29-34(31,32)20-13-17(26)12-18(27)14-20/h2-14,29H,15H2,1H3,(H,28,30).
What are the key properties of 5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide?
5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide has a molecular weight of 515.42 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 66908825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).