N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide

C12H17BrN2O3S — CID 71998791

IUPACN-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide
SMILESCC(C)(NS(C)(=O)=O)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O3S/c1-12(2,15-19(3,17)18)11(16)14-8-9-5-4-6-10(13)7-9/h4-7,15H,8H2,1-3H3,(H,14,16)
InChIKeyLHHYVGOXXREFSJ-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.39
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide

N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide (PubChem CID 71998791) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide
PubChem CID71998791
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC NameN-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide
SMILESCC(C)(NS(C)(=O)=O)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O3S/c1-12(2,15-19(3,17)18)11(16)14-8-9-5-4-6-10(13)7-9/h4-7,15H,8H2,1-3H3,(H,14,16)
InChIKeyLHHYVGOXXREFSJ-UHFFFAOYSA-N
XLogP1.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide (CID 71998791) is N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide is CC(C)(NS(C)(=O)=O)C(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide?
The InChIKey is LHHYVGOXXREFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-12(2,15-19(3,17)18)11(16)14-8-9-5-4-6-10(13)7-9/h4-7,15H,8H2,1-3H3,(H,14,16).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide?
N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide has a molecular weight of 349.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide is sourced from PubChem (CID 71998791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).