2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide

C19H17ClN2O4S — CID 8797229

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(O)ccc3ccccc23)c1
InChIInChI=1S/C19H17ClN2O4S/c1-22(2)27(25,26)13-8-9-16(20)15(11-13)19(24)21-18-14-6-4-3-5-12(14)7-10-17(18)23/h3-11,23H,1-2H3,(H,21,24)
InChIKeyLFFFRJISTVCLLK-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.70
Rot. Bonds4

About 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide (PubChem CID 8797229) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide
PubChem CID8797229
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(O)ccc3ccccc23)c1
InChIInChI=1S/C19H17ClN2O4S/c1-22(2)27(25,26)13-8-9-16(20)15(11-13)19(24)21-18-14-6-4-3-5-12(14)7-10-17(18)23/h3-11,23H,1-2H3,(H,21,24)
InChIKeyLFFFRJISTVCLLK-UHFFFAOYSA-N
XLogP3.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
CID 2707587
2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide
CID 55614680
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8920403
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
CID 110617791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide (CID 8797229) is 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(O)ccc3ccccc23)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide?
The InChIKey is LFFFRJISTVCLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-22(2)27(25,26)13-8-9-16(20)15(11-13)19(24)21-18-14-6-4-3-5-12(14)7-10-17(18)23/h3-11,23H,1-2H3,(H,21,24).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide has a molecular weight of 404.88 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide is sourced from PubChem (CID 8797229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).