N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide

C10H13BrFNO2S — CID 47372822

IUPACN-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C10H13BrFNO2S/c1-7(2)16(14,15)13-6-8-3-9(11)5-10(12)4-8/h3-5,7,13H,6H2,1-2H3
InChIKeyIWLXQUAHSXTVIW-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.42
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide

N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide (PubChem CID 47372822) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide
PubChem CID47372822
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C10H13BrFNO2S/c1-7(2)16(14,15)13-6-8-3-9(11)5-10(12)4-8/h3-5,7,13H,6H2,1-2H3
InChIKeyIWLXQUAHSXTVIW-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide (CID 47372822) is N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide?
The InChIKey is IWLXQUAHSXTVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-7(2)16(14,15)13-6-8-3-9(11)5-10(12)4-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide?
N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide has a molecular weight of 310.19 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 47372822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).