2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide

C17H19ClN2O6S2 — CID 55362920

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C17H19ClN2O6S2/c1-4-27(23,24)11-6-8-16(21)15(10-11)19-17(22)13-9-12(5-7-14(13)18)28(25,26)20(2)3/h5-10,21H,4H2,1-3H3,(H,19,22)
InChIKeyOGUOAUMBZQZBJL-UHFFFAOYSA-N
MW446.93 g/mol
LogP2.34
Rot. Bonds6

About 2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide (PubChem CID 55362920) has the molecular formula C17H19ClN2O6S2 and a molecular weight of 446.93 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
PubChem CID55362920
Molecular FormulaC17H19ClN2O6S2
Molecular Weight446.93 g/mol
Exact Mass446.04
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C17H19ClN2O6S2/c1-4-27(23,24)11-6-8-16(21)15(10-11)19-17(22)13-9-12(5-7-14(13)18)28(25,26)20(2)3/h5-10,21H,4H2,1-3H3,(H,19,22)
InChIKeyOGUOAUMBZQZBJL-UHFFFAOYSA-N
XLogP2.34
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
CID 51206951
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide
CID 8797229
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110618400
3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618429
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide (CID 55362920) is 2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The InChIKey is OGUOAUMBZQZBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O6S2/c1-4-27(23,24)11-6-8-16(21)15(10-11)19-17(22)13-9-12(5-7-14(13)18)28(25,26)20(2)3/h5-10,21H,4H2,1-3H3,(H,19,22).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide has a molecular weight of 446.93 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 55362920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).