3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide

C16H19N3O4S — CID 113265345

IUPAC3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)c(N)c1
InChIInChI=1S/C16H19N3O4S/c17-14-10-13(16(18)21)6-7-15(14)24(22,23)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,17H2,(H2,18,21)
InChIKeyDBYUTMLPWJCINE-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.55
Rot. Bonds7

About 3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide

3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide (PubChem CID 113265345) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide
PubChem CID113265345
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)c(N)c1
InChIInChI=1S/C16H19N3O4S/c17-14-10-13(16(18)21)6-7-15(14)24(22,23)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,17H2,(H2,18,21)
InChIKeyDBYUTMLPWJCINE-UHFFFAOYSA-N
XLogP0.55
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 107478040
3-amino-4-(diethylsulfamoyl)benzamide
CID 81470581
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629
2-amino-N-benzyl-4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 113226086
3-amino-N-benzyl-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 61110904
3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide
CID 91589407
N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 62114424
2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
methyl 2-[(2-amino-4-carbamoylphenyl)sulfonyl-ethylamino]acetate
CID 81466179
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide (CID 113265345) is 3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)c(N)c1.
What is the InChIKey of 3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide?
The InChIKey is DBYUTMLPWJCINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c17-14-10-13(16(18)21)6-7-15(14)24(22,23)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,17H2,(H2,18,21).
What are the key properties of 3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide?
3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide has a molecular weight of 349.41 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide is sourced from PubChem (CID 113265345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).