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

C11H16BrNO3S — CID 49244750

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(Br)ccc1OC
InChIInChI=1S/C11H16BrNO3S/c1-3-6-17(14,15)13-8-9-7-10(12)4-5-11(9)16-2/h4-5,7,13H,3,6,8H2,1-2H3
InChIKeyVBVDJYLKAUMBNC-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.29
Rot. Bonds6

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

N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide (PubChem CID 49244750) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide
PubChem CID49244750
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(Br)ccc1OC
InChIInChI=1S/C11H16BrNO3S/c1-3-6-17(14,15)13-8-9-7-10(12)4-5-11(9)16-2/h4-5,7,13H,3,6,8H2,1-2H3
InChIKeyVBVDJYLKAUMBNC-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
CID 47363963
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
2-[(5-bromo-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222898
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide
CID 110787171
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylsulfonylaniline
CID 43724648
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide (CID 49244750) is N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide?
The InChIKey is VBVDJYLKAUMBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-3-6-17(14,15)13-8-9-7-10(12)4-5-11(9)16-2/h4-5,7,13H,3,6,8H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide?
N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 49244750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).