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

C27H23Cl2N3O4S — CID 3996463

IUPACN-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C27H23Cl2N3O4S/c28-21-7-9-23(29)24(16-21)31-37(34,35)22-8-10-26(32-11-13-36-14-12-32)25(17-22)30-27(33)20-6-5-18-3-1-2-4-19(18)15-20/h1-10,15-17,31H,11-14H2,(H,30,33)
InChIKeyYDMQXBRLHGPBBW-UHFFFAOYSA-N
MW556.47 g/mol
LogP6.04
Rot. Bonds6

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

N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide (PubChem CID 3996463) has the molecular formula C27H23Cl2N3O4S and a molecular weight of 556.47 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide
PubChem CID3996463
Molecular FormulaC27H23Cl2N3O4S
Molecular Weight556.47 g/mol
Exact Mass555.08
IUPAC NameN-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C27H23Cl2N3O4S/c28-21-7-9-23(29)24(16-21)31-37(34,35)22-8-10-26(32-11-13-36-14-12-32)25(17-22)30-27(33)20-6-5-18-3-1-2-4-19(18)15-20/h1-10,15-17,31H,11-14H2,(H,30,33)
InChIKeyYDMQXBRLHGPBBW-UHFFFAOYSA-N
XLogP6.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.47
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide
CID 4848579
3-(azepan-1-ylsulfonyl)-4-chloro-N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]benzamide
CID 4691182
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
CID 26207980
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 42999901
N-(5-chloro-2-morpholin-4-ylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801212
N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 4626135
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
methyl 3-[[5-[(2,5-dichlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]carbamoyl]-5-nitrobenzoate
CID 4131659
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-2-carboxamide
CID 17066078
N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4092833
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide (CID 3996463) is N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide is O=C(Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide?
The InChIKey is YDMQXBRLHGPBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N3O4S/c28-21-7-9-23(29)24(16-21)31-37(34,35)22-8-10-26(32-11-13-36-14-12-32)25(17-22)30-27(33)20-6-5-18-3-1-2-4-19(18)15-20/h1-10,15-17,31H,11-14H2,(H,30,33).
What are the key properties of N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide?
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide has a molecular weight of 556.47 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 3996463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).