3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

C19H23N3O4S — CID 120945519

IUPAC3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H23N3O4S/c23-18-13-20-11-16(18)12-21-19(24)15-7-4-8-17(9-15)27(25,26)22-10-14-5-2-1-3-6-14/h1-9,16,18,20,22-23H,10-13H2,(H,21,24)
InChIKeyBAIQWLBBZDYVTC-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.48
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 120945519) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID120945519
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H23N3O4S/c23-18-13-20-11-16(18)12-21-19(24)15-7-4-8-17(9-15)27(25,26)22-10-14-5-2-1-3-6-14/h1-9,16,18,20,22-23H,10-13H2,(H,21,24)
InChIKeyBAIQWLBBZDYVTC-UHFFFAOYSA-N
XLogP0.48
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 120946825
3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120946036
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 120943382
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943251
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 27690298
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 120945519) is 3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CNCC1O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is BAIQWLBBZDYVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-18-13-20-11-16(18)12-21-19(24)15-7-4-8-17(9-15)27(25,26)22-10-14-5-2-1-3-6-14/h1-9,16,18,20,22-23H,10-13H2,(H,21,24).
What are the key properties of 3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 0.48, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120945519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).