4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide

C17H18Cl2N2O4S — CID 56581135

IUPAC4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2O)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O4S/c1-3-21(4-2)26(24,25)16-9-11(5-7-13(16)19)17(23)20-14-10-12(18)6-8-15(14)22/h5-10,22H,3-4H2,1-2H3,(H,20,23)
InChIKeySKEKBYZBGHWHAN-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.98
Rot. Bonds6

About 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide

4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide (PubChem CID 56581135) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
PubChem CID56581135
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC Name4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2O)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O4S/c1-3-21(4-2)26(24,25)16-9-11(5-7-13(16)19)17(23)20-14-10-12(18)6-8-15(14)22/h5-10,22H,3-4H2,1-2H3,(H,20,23)
InChIKeySKEKBYZBGHWHAN-UHFFFAOYSA-N
XLogP3.98
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.98
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

4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26409898
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 8503404
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate
CID 17475289
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 75469584
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
CID 8914920

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide (CID 56581135) is 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2O)ccc1Cl.
What is the InChIKey of 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide?
The InChIKey is SKEKBYZBGHWHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-3-21(4-2)26(24,25)16-9-11(5-7-13(16)19)17(23)20-14-10-12(18)6-8-15(14)22/h5-10,22H,3-4H2,1-2H3,(H,20,23).
What are the key properties of 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide?
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide has a molecular weight of 417.31 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 56581135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).