N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide

C26H22Cl2N4O4S — CID 4848579

IUPACN-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1)c1ccc2ccccc2n1
InChIInChI=1S/C26H22Cl2N4O4S/c27-18-6-8-20(28)23(15-18)31-37(34,35)19-7-10-25(32-11-13-36-14-12-32)24(16-19)30-26(33)22-9-5-17-3-1-2-4-21(17)29-22/h1-10,15-16,31H,11-14H2,(H,30,33)
InChIKeyAGOADJICDPREES-UHFFFAOYSA-N
MW557.46 g/mol
LogP5.43
Rot. Bonds6

About N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide

N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide (PubChem CID 4848579) has the molecular formula C26H22Cl2N4O4S and a molecular weight of 557.46 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide
PubChem CID4848579
Molecular FormulaC26H22Cl2N4O4S
Molecular Weight557.46 g/mol
Exact Mass556.07
IUPAC NameN-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1)c1ccc2ccccc2n1
InChIInChI=1S/C26H22Cl2N4O4S/c27-18-6-8-20(28)23(15-18)31-37(34,35)19-7-10-25(32-11-13-36-14-12-32)24(16-19)30-26(33)22-9-5-17-3-1-2-4-21(17)29-22/h1-10,15-16,31H,11-14H2,(H,30,33)
InChIKeyAGOADJICDPREES-UHFFFAOYSA-N
XLogP5.43
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.46
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide
CID 3996463
3-(azepan-1-ylsulfonyl)-4-chloro-N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]benzamide
CID 4691182
N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 4626135
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
CID 17467965
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
1-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 4070117
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
CID 26207980
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
N-(5-chloro-2-morpholin-4-ylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801212
5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide
CID 3870175
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4206577
methyl 3-[[5-[(2,5-dichlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]carbamoyl]-5-nitrobenzoate
CID 4131659

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide (CID 4848579) is N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide is O=C(Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1)c1ccc2ccccc2n1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide?
The InChIKey is AGOADJICDPREES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O4S/c27-18-6-8-20(28)23(15-18)31-37(34,35)19-7-10-25(32-11-13-36-14-12-32)24(16-19)30-26(33)22-9-5-17-3-1-2-4-21(17)29-22/h1-10,15-16,31H,11-14H2,(H,30,33).
What are the key properties of N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide?
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide has a molecular weight of 557.46 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide is sourced from PubChem (CID 4848579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).