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

C10H13BrFNO2S — CID 47364177

IUPACN-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-2-5-16(14,15)13-7-8-6-9(11)3-4-10(8)12/h3-4,6,13H,2,5,7H2,1H3
InChIKeyQGUVWSBMOCKDKR-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.42
Rot. Bonds5

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

N-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide (PubChem CID 47364177) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide
PubChem CID47364177
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-2-5-16(14,15)13-7-8-6-9(11)3-4-10(8)12/h3-4,6,13H,2,5,7H2,1H3
InChIKeyQGUVWSBMOCKDKR-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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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide (CID 47364177) is N-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide?
The InChIKey is QGUVWSBMOCKDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-2-5-16(14,15)13-7-8-6-9(11)3-4-10(8)12/h3-4,6,13H,2,5,7H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide?
N-[(5-bromo-2-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-[(5-bromo-2-fluorophenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 47364177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).