N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide

C14H14BrNO3S — CID 135348470

IUPACN-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C14H14BrNO3S/c1-19-14-8-12(15)7-13(9-14)16-20(17,18)10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyVWBQVWUMWNGRRW-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.40
Rot. Bonds5

About N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide

N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide (PubChem CID 135348470) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
PubChem CID135348470
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC NameN-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C14H14BrNO3S/c1-19-14-8-12(15)7-13(9-14)16-20(17,18)10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyVWBQVWUMWNGRRW-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methoxyphenyl)-1-cyanomethanesulfonamide
CID 82867498
N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
CID 135348293
2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82860132
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82859753
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide (CID 135348470) is N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide is COc1cc(Br)cc(NS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide?
The InChIKey is VWBQVWUMWNGRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-19-14-8-12(15)7-13(9-14)16-20(17,18)10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3.
What are the key properties of N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide?
N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 135348470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).