N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide

C10H13BrFNO3S — CID 111439950

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCO)Cc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO3S/c1-17(15,16)13(4-5-14)7-8-6-9(11)2-3-10(8)12/h2-3,6,14H,4-5,7H2,1H3
InChIKeyGCMPRIOFFUWXRV-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.34
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 111439950) has the molecular formula C10H13BrFNO3S and a molecular weight of 326.19 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID111439950
Molecular FormulaC10H13BrFNO3S
Molecular Weight326.19 g/mol
Exact Mass324.98
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCO)Cc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO3S/c1-17(15,16)13(4-5-14)7-8-6-9(11)2-3-10(8)12/h2-3,6,14H,4-5,7H2,1H3
InChIKeyGCMPRIOFFUWXRV-UHFFFAOYSA-N
XLogP1.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide (CID 111439950) is N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide is CS(=O)(=O)N(CCO)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is GCMPRIOFFUWXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO3S/c1-17(15,16)13(4-5-14)7-8-6-9(11)2-3-10(8)12/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 326.19 g/mol, XLogP of 1.34, 5 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]-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 111439950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).