4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide

C18H20ClFN2O3S — CID 46538107

IUPAC4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClFN2O3S/c1-3-4-12(2)21-18(23)13-5-7-14(8-6-13)22-26(24,25)15-9-10-17(20)16(19)11-15/h5-12,22H,3-4H2,1-2H3,(H,21,23)
InChIKeyXRQLNVWLKWCRDC-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.20
Rot. Bonds7

About 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide

4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide (PubChem CID 46538107) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
PubChem CID46538107
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClFN2O3S/c1-3-4-12(2)21-18(23)13-5-7-14(8-6-13)22-26(24,25)15-9-10-17(20)16(19)11-15/h5-12,22H,3-4H2,1-2H3,(H,21,23)
InChIKeyXRQLNVWLKWCRDC-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

4-[(3-nitrophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43016512
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 43000828
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 55990230
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46819760
2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 42890307

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide (CID 46538107) is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The InChIKey is XRQLNVWLKWCRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-3-4-12(2)21-18(23)13-5-7-14(8-6-13)22-26(24,25)15-9-10-17(20)16(19)11-15/h5-12,22H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-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 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 46538107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).