N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide

C18H21N3O4S — CID 3228862

IUPACN-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H21N3O4S/c22-18(20-13-16-2-1-11-25-16)15-3-5-17(6-4-15)26(23,24)21-12-14-7-9-19-10-8-14/h3-10,16,21H,1-2,11-13H2,(H,20,22)
InChIKeyYGYPNGMHWRIMKN-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.47
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide

N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide (PubChem CID 3228862) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
PubChem CID3228862
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H21N3O4S/c22-18(20-13-16-2-1-11-25-16)15-3-5-17(6-4-15)26(23,24)21-12-14-7-9-19-10-8-14/h3-10,16,21H,1-2,11-13H2,(H,20,22)
InChIKeyYGYPNGMHWRIMKN-UHFFFAOYSA-N
XLogP1.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide (CID 3228862) is N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide is O=C(NCC1CCCO1)c1ccc(S(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is YGYPNGMHWRIMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-18(20-13-16-2-1-11-25-16)15-3-5-17(6-4-15)26(23,24)21-12-14-7-9-19-10-8-14/h3-10,16,21H,1-2,11-13H2,(H,20,22).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 3228862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).