3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide

C20H25N3O3S — CID 109064880

IUPAC3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C20H25N3O3S/c24-20(22-15-16-7-6-12-21-14-16)17-8-5-11-19(13-17)27(25,26)23-18-9-3-1-2-4-10-18/h5-8,11-14,18,23H,1-4,9-10,15H2,(H,22,24)
InChIKeyYJFLSDHAXYUVAZ-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.01
Rot. Bonds6

About 3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide

3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 109064880) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID109064880
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C20H25N3O3S/c24-20(22-15-16-7-6-12-21-14-16)17-8-5-11-19(13-17)27(25,26)23-18-9-3-1-2-4-10-18/h5-8,11-14,18,23H,1-4,9-10,15H2,(H,22,24)
InChIKeyYJFLSDHAXYUVAZ-UHFFFAOYSA-N
XLogP3.01
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide
CID 97188968
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
4-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 3769450
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110355634
3-(cyclopentylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041602
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
CID 56929064
3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39517268

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide (CID 109064880) is 3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1.
What is the InChIKey of 3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is YJFLSDHAXYUVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(22-15-16-7-6-12-21-14-16)17-8-5-11-19(13-17)27(25,26)23-18-9-3-1-2-4-10-18/h5-8,11-14,18,23H,1-4,9-10,15H2,(H,22,24).
What are the key properties of 3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 109064880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).