N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide

C10H13BrFNO2S — CID 47387448

IUPACN-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C10H13BrFNO2S/c1-2-5-16(14,15)13-7-8-6-9(12)3-4-10(8)11/h3-4,6,13H,2,5,7H2,1H3
InChIKeyXMHFAEXZYGQWTD-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.42
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide

N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide (PubChem CID 47387448) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide
PubChem CID47387448
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C10H13BrFNO2S/c1-2-5-16(14,15)13-7-8-6-9(12)3-4-10(8)11/h3-4,6,13H,2,5,7H2,1H3
InChIKeyXMHFAEXZYGQWTD-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromobenzyl)methanesulfonamide
CID 17383997
2-Bromo-N-(4-fluorobenzyl)benzenesulfonamide
CID 4825019
N-benzyl-2-bromo-4-fluorobenzenesulfonamide
CID 16060325
N-[(4-bromophenyl)methyl]-2-[2-(dimethylamino)ethyl-methylamino]ethanesulfonamide
CID 76310307
1-(4-Bromophenyl)-N-propylmethanesulfonamide
CID 17741333
N-((2-Bromophenyl)methyl)-4-methylbenzenesulfonamide
CID 53342357
4-bromo-N-(4-fluorobenzyl)benzenesulfonamide
CID 2169357
N-((3-bromophenyl)methyl)methanesulfonamide
CID 6464358
N-((1S)-1-(4-bromophenyl)ethyl)methanesulfonamide
CID 28560459
N-[2-[(2-bromo-5-fluorophenyl)methylamino]ethyl]ethanesulfonamide
CID 71906873
N-[1-(2-bromophenyl)ethyl]-2-methoxyethanesulfonamide
CID 72148729
N-[3-[(2-bromo-5-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 75434778

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide (CID 47387448) is N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide?
The InChIKey is XMHFAEXZYGQWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-2-5-16(14,15)13-7-8-6-9(12)3-4-10(8)11/h3-4,6,13H,2,5,7H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide?
N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide has a molecular weight of 310.19 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 47387448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).