N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide

C13H6ClF5N2O3S — CID 10549020

IUPACN-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1
InChIInChI=1S/C13H6ClF5N2O3S/c14-5-3-4(25(20,23)24)1-2-6(5)21-13(22)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H,(H,21,22)(H2,20,23,24)
InChIKeyYCCBTSYVUIATLE-UHFFFAOYSA-N
MW400.71 g/mol
LogP2.94
Rot. Bonds3

About N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide

N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide (PubChem CID 10549020) has the molecular formula C13H6ClF5N2O3S and a molecular weight of 400.71 g/mol. Its IUPAC name is N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide
PubChem CID10549020
Molecular FormulaC13H6ClF5N2O3S
Molecular Weight400.71 g/mol
Exact Mass399.97
IUPAC NameN-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1
InChIInChI=1S/C13H6ClF5N2O3S/c14-5-3-4(25(20,23)24)1-2-6(5)21-13(22)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H,(H,21,22)(H2,20,23,24)
InChIKeyYCCBTSYVUIATLE-UHFFFAOYSA-N
XLogP2.94
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.71
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
Benzeneacetamide, N-(4-(aminosulfonyl)-2-chlorophenyl)-
CID 3051968
2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
CID 10383098
N-(2-chlorophenyl)-4-(methylsulfonyl)benzamide
CID 2747545
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
CID 4180608
2-(2-bromophenyl)-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 71764608
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4338027
N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 2169782
2-Propyl-pentanoic acid (2-chloro-4-sulfamoyl-phenyl)-amide
CID 11782553
4-chloro-N-(3-sulfamoylphenyl)benzamide
CID 3564294
N-(3-chloro-4-fluorophenyl)-3-(3,3-difluoroazepan-1-yl)sulfonyl-4-fluorobenzamide
CID 118230077

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide (CID 10549020) is N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide is NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is YCCBTSYVUIATLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF5N2O3S/c14-5-3-4(25(20,23)24)1-2-6(5)21-13(22)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H,(H,21,22)(H2,20,23,24).
What are the key properties of N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide?
N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 400.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-sulfamoylphenyl)-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 10549020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).