6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide

C20H16Cl2N2O4S — CID 58496720

IUPAC6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide
SMILESCC(=O)CNC(=O)c1ccc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1
InChIInChI=1S/C20H16Cl2N2O4S/c1-12(25)11-23-20(26)15-3-2-14-7-18(5-4-13(14)6-15)24-29(27,28)19-9-16(21)8-17(22)10-19/h2-10,24H,11H2,1H3,(H,23,26)
InChIKeyYMRVNNVNLIQCPP-UHFFFAOYSA-N
MW451.33 g/mol
LogP4.27
Rot. Bonds6

About 6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide

6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide (PubChem CID 58496720) has the molecular formula C20H16Cl2N2O4S and a molecular weight of 451.33 g/mol. Its IUPAC name is 6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide
PubChem CID58496720
Molecular FormulaC20H16Cl2N2O4S
Molecular Weight451.33 g/mol
Exact Mass450.02
IUPAC Name6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide
SMILESCC(=O)CNC(=O)c1ccc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1
InChIInChI=1S/C20H16Cl2N2O4S/c1-12(25)11-23-20(26)15-3-2-14-7-18(5-4-13(14)6-15)24-29(27,28)19-9-16(21)8-17(22)10-19/h2-10,24H,11H2,1H3,(H,23,26)
InChIKeyYMRVNNVNLIQCPP-UHFFFAOYSA-N
XLogP4.27
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.33
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843
2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 7042185
6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 58497045
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid
CID 70668420
N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
CID 2447787
N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 34837601
3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299728
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid
CID 68972956
3-chloro-5-methyl-N-(2-oxopropyl)benzamide
CID 81323572

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide?
The IUPAC name of 6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide (CID 58496720) is 6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide is CC(=O)CNC(=O)c1ccc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1.
What is the InChIKey of 6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide?
The InChIKey is YMRVNNVNLIQCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4S/c1-12(25)11-23-20(26)15-3-2-14-7-18(5-4-13(14)6-15)24-29(27,28)19-9-16(21)8-17(22)10-19/h2-10,24H,11H2,1H3,(H,23,26).
What are the key properties of 6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide?
6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide has a molecular weight of 451.33 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 58496720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).