N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide

C18H21N3O3S — CID 1428458

IUPACN-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CCCC1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H21N3O3S/c22-18(21-16-5-1-2-6-16)15-7-9-17(10-8-15)25(23,24)20-13-14-4-3-11-19-12-14/h3-4,7-12,16,20H,1-2,5-6,13H2,(H,21,22)
InChIKeyJKERILLVXPRFJS-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.23
Rot. Bonds6

About N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide

N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide (PubChem CID 1428458) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
PubChem CID1428458
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CCCC1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H21N3O3S/c22-18(21-16-5-1-2-6-16)15-7-9-17(10-8-15)25(23,24)20-13-14-4-3-11-19-12-14/h3-4,7-12,16,20H,1-2,5-6,13H2,(H,21,22)
InChIKeyJKERILLVXPRFJS-UHFFFAOYSA-N
XLogP2.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 3769450
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77084633
4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109113007
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
CID 56929064
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 45273834

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide (CID 1428458) is N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide is O=C(NC1CCCC1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1.
What is the InChIKey of N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is JKERILLVXPRFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18(21-16-5-1-2-6-16)15-7-9-17(10-8-15)25(23,24)20-13-14-4-3-11-19-12-14/h3-4,7-12,16,20H,1-2,5-6,13H2,(H,21,22).
What are the key properties of N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide has a molecular weight of 359.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 1428458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).