3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide

C17H20N4O3S — CID 77084633

IUPAC3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(S(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C17H20N4O3S/c22-17(21-15-6-8-19-12-15)14-4-1-5-16(9-14)25(23,24)20-11-13-3-2-7-18-10-13/h1-5,7,9-10,15,19-20H,6,8,11-12H2,(H,21,22)
InChIKeyIRIZCLFFPMTJQI-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.65
Rot. Bonds6

About 3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide

3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 77084633) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID77084633
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(S(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C17H20N4O3S/c22-17(21-15-6-8-19-12-15)14-4-1-5-16(9-14)25(23,24)20-11-13-3-2-7-18-10-13/h1-5,7,9-10,15,19-20H,6,8,11-12H2,(H,21,22)
InChIKeyIRIZCLFFPMTJQI-UHFFFAOYSA-N
XLogP0.65
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 99928832
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77091912
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
N-(3-fluorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064872
N-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 2564609
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide (CID 77084633) is 3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1cccc(S(=O)(=O)NCc2cccnc2)c1.
What is the InChIKey of 3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is IRIZCLFFPMTJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-17(21-15-6-8-19-12-15)14-4-1-5-16(9-14)25(23,24)20-11-13-3-2-7-18-10-13/h1-5,7,9-10,15,19-20H,6,8,11-12H2,(H,21,22).
What are the key properties of 3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 77084633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).