5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide

C17H20N2O4S — CID 71903697

IUPAC5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCCO
InChIInChI=1S/C17H20N2O4S/c1-13-7-8-15(11-16(13)17(21)18-9-10-20)24(22,23)19-12-14-5-3-2-4-6-14/h2-8,11,19-20H,9-10,12H2,1H3,(H,18,21)
InChIKeyLPCQPFATFZZKKD-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.20
Rot. Bonds7

About 5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide

5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 71903697) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID71903697
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCCO
InChIInChI=1S/C17H20N2O4S/c1-13-7-8-15(11-16(13)17(21)18-9-10-20)24(22,23)19-12-14-5-3-2-4-6-14/h2-8,11,19-20H,9-10,12H2,1H3,(H,18,21)
InChIKeyLPCQPFATFZZKKD-UHFFFAOYSA-N
XLogP1.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
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5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 55948933
5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27859379
5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide
CID 55660200
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide
CID 55638308
5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide
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2-[[5-(benzylsulfamoyl)-2-methylbenzoyl]-methylamino]propanoic acid
CID 119209339

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide (CID 71903697) is 5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCCO.
What is the InChIKey of 5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is LPCQPFATFZZKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-7-8-15(11-16(13)17(21)18-9-10-20)24(22,23)19-12-14-5-3-2-4-6-14/h2-8,11,19-20H,9-10,12H2,1H3,(H,18,21).
What are the key properties of 5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide?
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 71903697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).