2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide

C16H15Br2FN2O3S — CID 55586408

IUPAC2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C16H15Br2FN2O3S/c1-2-21(9-10-7-11(17)3-6-15(10)19)16(22)13-8-12(25(20,23)24)4-5-14(13)18/h3-8H,2,9H2,1H3,(H2,20,23,24)
InChIKeyLKSGGUUHHCBNQD-UHFFFAOYSA-N
MW494.18 g/mol
LogP3.66
Rot. Bonds5

About 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide

2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide (PubChem CID 55586408) has the molecular formula C16H15Br2FN2O3S and a molecular weight of 494.18 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
PubChem CID55586408
Molecular FormulaC16H15Br2FN2O3S
Molecular Weight494.18 g/mol
Exact Mass491.92
IUPAC Name2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C16H15Br2FN2O3S/c1-2-21(9-10-7-11(17)3-6-15(10)19)16(22)13-8-12(25(20,23)24)4-5-14(13)18/h3-8H,2,9H2,1H3,(H2,20,23,24)
InChIKeyLKSGGUUHHCBNQD-UHFFFAOYSA-N
XLogP3.66
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N,N-diethyl-5-sulfamoylbenzamide
CID 47101234
2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide
CID 33031977
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-nitrobenzamide
CID 55587717
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-oxidopyridin-1-ium-2-carboxamide
CID 60506604
N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide
CID 55594795
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4,5-dimethoxy-2-nitrobenzamide
CID 55587782
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
CID 65388515
N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide
CID 56552612
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methyl-4-nitrothiophene-2-carboxamide
CID 55593771
2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 34889810

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide (CID 55586408) is 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide is CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(S(N)(=O)=O)ccc1Br.
What is the InChIKey of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide?
The InChIKey is LKSGGUUHHCBNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2FN2O3S/c1-2-21(9-10-7-11(17)3-6-15(10)19)16(22)13-8-12(25(20,23)24)4-5-14(13)18/h3-8H,2,9H2,1H3,(H2,20,23,24).
What are the key properties of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide?
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide has a molecular weight of 494.18 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 55586408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).