3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide

C18H20FN3O3S — CID 119511835

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H20FN3O3S/c19-16-8-1-2-9-17(16)22-26(24,25)15-7-3-5-13(11-15)18(23)21-12-14-6-4-10-20-14/h1-3,5,7-9,11,14,20,22H,4,6,10,12H2,(H,21,23)
InChIKeyGLXRFFSNGWNYJK-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.11
Rot. Bonds6

About 3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119511835) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119511835
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H20FN3O3S/c19-16-8-1-2-9-17(16)22-26(24,25)15-7-3-5-13(11-15)18(23)21-12-14-6-4-10-20-14/h1-3,5,7-9,11,14,20,22H,4,6,10,12H2,(H,21,23)
InChIKeyGLXRFFSNGWNYJK-UHFFFAOYSA-N
XLogP2.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919
3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513016
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
3-[(3-chlorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513853
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30500746
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119476348
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120554339
3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78856698
N-cyclohexyl-N-cyclopropyl-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 47074499
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119511835) is 3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(NCC1CCCN1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is GLXRFFSNGWNYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-16-8-1-2-9-17(16)22-26(24,25)15-7-3-5-13(11-15)18(23)21-12-14-6-4-10-20-14/h1-3,5,7-9,11,14,20,22H,4,6,10,12H2,(H,21,23).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119511835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).