N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide

C19H23FN2O3S — CID 109064691

IUPACN-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2F)c1
InChIInChI=1S/C19H23FN2O3S/c1-3-4-12-22(2)19(23)15-9-7-10-17(13-15)26(24,25)21-14-16-8-5-6-11-18(16)20/h5-11,13,21H,3-4,12,14H2,1-2H3
InChIKeyRTFURLXYEJRFDX-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.18
Rot. Bonds8

About N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide

N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide (PubChem CID 109064691) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
PubChem CID109064691
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2F)c1
InChIInChI=1S/C19H23FN2O3S/c1-3-4-12-22(2)19(23)15-9-7-10-17(13-15)26(24,25)21-14-16-8-5-6-11-18(16)20/h5-11,13,21H,3-4,12,14H2,1-2H3
InChIKeyRTFURLXYEJRFDX-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109064605
N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064577
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide
CID 46385991
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056441
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9409340
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide
CID 32904387
N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 108528538

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide?
The IUPAC name of N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide (CID 109064691) is N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2F)c1.
What is the InChIKey of N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide?
The InChIKey is RTFURLXYEJRFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-3-4-12-22(2)19(23)15-9-7-10-17(13-15)26(24,25)21-14-16-8-5-6-11-18(16)20/h5-11,13,21H,3-4,12,14H2,1-2H3.
What are the key properties of N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide?
N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide has a molecular weight of 378.47 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 109064691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).