N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide

C17H22N4O4S — CID 70729296

IUPACN-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide
SMILESO=C(NCC1CCCO1)c1ccc(S(=O)(=O)NCCc2cn[nH]c2)cc1
InChIInChI=1S/C17H22N4O4S/c22-17(18-12-15-2-1-9-25-15)14-3-5-16(6-4-14)26(23,24)21-8-7-13-10-19-20-11-13/h3-6,10-11,15,21H,1-2,7-9,12H2,(H,18,22)(H,19,20)
InChIKeyBHEKOXCPIZWKTM-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.84
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide

N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide (PubChem CID 70729296) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide
PubChem CID70729296
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide
SMILESO=C(NCC1CCCO1)c1ccc(S(=O)(=O)NCCc2cn[nH]c2)cc1
InChIInChI=1S/C17H22N4O4S/c22-17(18-12-15-2-1-9-25-15)14-3-5-16(6-4-14)26(23,24)21-8-7-13-10-19-20-11-13/h3-6,10-11,15,21H,1-2,7-9,12H2,(H,18,22)(H,19,20)
InChIKeyBHEKOXCPIZWKTM-UHFFFAOYSA-N
XLogP0.84
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide (CID 70729296) is N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide is O=C(NCC1CCCO1)c1ccc(S(=O)(=O)NCCc2cn[nH]c2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide?
The InChIKey is BHEKOXCPIZWKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c22-17(18-12-15-2-1-9-25-15)14-3-5-16(6-4-14)26(23,24)21-8-7-13-10-19-20-11-13/h3-6,10-11,15,21H,1-2,7-9,12H2,(H,18,22)(H,19,20).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide?
N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide is sourced from PubChem (CID 70729296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).