2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide

C18H20ClFN2O3S — CID 42890307

IUPAC2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl
InChIInChI=1S/C18H20ClFN2O3S/c1-3-6-12(2)21-18(23)14-11-13(9-10-15(14)19)26(24,25)22-17-8-5-4-7-16(17)20/h4-5,7-12,22H,3,6H2,1-2H3,(H,21,23)
InChIKeyMYRJLKAYTMFBOH-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.20
Rot. Bonds7

About 2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide

2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide (PubChem CID 42890307) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide
PubChem CID42890307
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl
InChIInChI=1S/C18H20ClFN2O3S/c1-3-6-12(2)21-18(23)14-11-13(9-10-15(14)19)26(24,25)22-17-8-5-4-7-16(17)20/h4-5,7-12,22H,3,6H2,1-2H3,(H,21,23)
InChIKeyMYRJLKAYTMFBOH-UHFFFAOYSA-N
XLogP4.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 24538338
2-chloro-N-pentan-2-yl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 43019696
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
CID 93487479
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 46538107
3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78856698
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
CID 30397362
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The IUPAC name of 2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide (CID 42890307) is 2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The canonical SMILES for 2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The InChIKey is MYRJLKAYTMFBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-3-6-12(2)21-18(23)14-11-13(9-10-15(14)19)26(24,25)22-17-8-5-4-7-16(17)20/h4-5,7-12,22H,3,6H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide has a molecular weight of 398.89 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 42890307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).