N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide

C14H16F2N4O3S — CID 70772587

IUPACN-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide
SMILESO=C(NCC(F)F)c1ccc(S(=O)(=O)NCCc2cn[nH]c2)cc1
InChIInChI=1S/C14H16F2N4O3S/c15-13(16)9-17-14(21)11-1-3-12(4-2-11)24(22,23)20-6-5-10-7-18-19-8-10/h1-4,7-8,13,20H,5-6,9H2,(H,17,21)(H,18,19)
InChIKeyJPPSKSADTZJKAJ-UHFFFAOYSA-N
MW358.37 g/mol
LogP0.93
Rot. Bonds8

About N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide

N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide (PubChem CID 70772587) has the molecular formula C14H16F2N4O3S and a molecular weight of 358.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide
PubChem CID70772587
Molecular FormulaC14H16F2N4O3S
Molecular Weight358.37 g/mol
Exact Mass358.09
IUPAC NameN-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide
SMILESO=C(NCC(F)F)c1ccc(S(=O)(=O)NCCc2cn[nH]c2)cc1
InChIInChI=1S/C14H16F2N4O3S/c15-13(16)9-17-14(21)11-1-3-12(4-2-11)24(22,23)20-6-5-10-7-18-19-8-10/h1-4,7-8,13,20H,5-6,9H2,(H,17,21)(H,18,19)
InChIKeyJPPSKSADTZJKAJ-UHFFFAOYSA-N
XLogP0.93
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide (CID 70772587) is N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide is O=C(NCC(F)F)c1ccc(S(=O)(=O)NCCc2cn[nH]c2)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide?
The InChIKey is JPPSKSADTZJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O3S/c15-13(16)9-17-14(21)11-1-3-12(4-2-11)24(22,23)20-6-5-10-7-18-19-8-10/h1-4,7-8,13,20H,5-6,9H2,(H,17,21)(H,18,19).
What are the key properties of N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide?
N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide has a molecular weight of 358.37 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide is sourced from PubChem (CID 70772587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).