N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide

C18H20ClFN2O3S — CID 32904267

IUPACN-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C18H20ClFN2O3S/c1-3-4-11-22(2)18(23)16-12-15(9-10-17(16)19)26(24,25)21-14-7-5-13(20)6-8-14/h5-10,12,21H,3-4,11H2,1-2H3
InChIKeyGXGRPCRDIAWBRT-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.15
Rot. Bonds7

About N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide

N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 32904267) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
PubChem CID32904267
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C18H20ClFN2O3S/c1-3-4-11-22(2)18(23)16-12-15(9-10-17(16)19)26(24,25)21-14-7-5-13(20)6-8-14/h5-10,12,21H,3-4,11H2,1-2H3
InChIKeyGXGRPCRDIAWBRT-UHFFFAOYSA-N
XLogP4.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55947799
N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 32905345
4-chloro-3-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65370538
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061461
N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 51166063
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926
5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
CID 56521290

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide (CID 32904267) is N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide is CCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is GXGRPCRDIAWBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-3-4-11-22(2)18(23)16-12-15(9-10-17(16)19)26(24,25)21-14-7-5-13(20)6-8-14/h5-10,12,21H,3-4,11H2,1-2H3.
What are the key properties of N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 398.89 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 32904267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).