N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide

C19H20BrFN2O3S — CID 55594795

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H20BrFN2O3S/c1-2-23(12-14-11-15(20)5-10-18(14)21)19(24)13-3-8-17(9-4-13)27(25,26)22-16-6-7-16/h3-5,8-11,16,22H,2,6-7,12H2,1H3
InChIKeyVHCAEULVKBZEKP-UHFFFAOYSA-N
MW455.35 g/mol
LogP3.69
Rot. Bonds7

About N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide

N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide (PubChem CID 55594795) has the molecular formula C19H20BrFN2O3S and a molecular weight of 455.35 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide
PubChem CID55594795
Molecular FormulaC19H20BrFN2O3S
Molecular Weight455.35 g/mol
Exact Mass454.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H20BrFN2O3S/c1-2-23(12-14-11-15(20)5-10-18(14)21)19(24)13-3-8-17(9-4-13)27(25,26)22-16-6-7-16/h3-5,8-11,16,22H,2,6-7,12H2,1H3
InChIKeyVHCAEULVKBZEKP-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide
CID 55593770
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide
CID 51123201
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408
N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide
CID 139011158
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975
4-(cyclopropylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 18195060
4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 51126304
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
N-[(5-bromo-2-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-N-ethylpyridine-3-carboxamide
CID 112820622
4-(cyclopropylsulfamoyl)-N-ethyl-N-(3-methylphenyl)benzamide
CID 109058411
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide (CID 55594795) is N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide is CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide?
The InChIKey is VHCAEULVKBZEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3S/c1-2-23(12-14-11-15(20)5-10-18(14)21)19(24)13-3-8-17(9-4-13)27(25,26)22-16-6-7-16/h3-5,8-11,16,22H,2,6-7,12H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide has a molecular weight of 455.35 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide is sourced from PubChem (CID 55594795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).