2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide

C19H24BrNO4S — CID 44602044

IUPAC2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(CN(CC(C)C)S(=O)(=O)c2ccccc2Br)cc(OC)c1
InChIInChI=1S/C19H24BrNO4S/c1-14(2)12-21(26(22,23)19-8-6-5-7-18(19)20)13-15-9-16(24-3)11-17(10-15)25-4/h5-11,14H,12-13H2,1-4H3
InChIKeyLWYYSRZKFQLMFM-UHFFFAOYSA-N
MW442.38 g/mol
LogP4.31
Rot. Bonds8

About 2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide

2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 44602044) has the molecular formula C19H24BrNO4S and a molecular weight of 442.38 g/mol. Its IUPAC name is 2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID44602044
Molecular FormulaC19H24BrNO4S
Molecular Weight442.38 g/mol
Exact Mass441.06
IUPAC Name2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(CN(CC(C)C)S(=O)(=O)c2ccccc2Br)cc(OC)c1
InChIInChI=1S/C19H24BrNO4S/c1-14(2)12-21(26(22,23)19-8-6-5-7-18(19)20)13-15-9-16(24-3)11-17(10-15)25-4/h5-11,14H,12-13H2,1-4H3
InChIKeyLWYYSRZKFQLMFM-UHFFFAOYSA-N
XLogP4.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Bromophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]-1,4-diazepane
CID 3237723
1-(4-Bromobenzenesulfonyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 3654689
Methyl 3-[(2-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate
CID 44602047
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide
CID 44602051
2-bromo-N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]benzenesulfonamide
CID 44602053
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide
CID 45479956
2,5-dibromo-N-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 46902133
2-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 9189499
Methyl 2-[(2-bromophenyl)sulfonyl-[(3,5-dimethoxyphenyl)methyl]amino]-4-methylpentanoate
CID 44602008
2-bromo-N-[(4-methoxyphenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide
CID 44602055
2-bromo-N-[(2,5-dimethoxyphenyl)methyl]-N-(2-oxobutyl)benzenesulfonamide
CID 44825376
2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 53245341

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide (CID 44602044) is 2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide is COc1cc(CN(CC(C)C)S(=O)(=O)c2ccccc2Br)cc(OC)c1.
What is the InChIKey of 2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is LWYYSRZKFQLMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO4S/c1-14(2)12-21(26(22,23)19-8-6-5-7-18(19)20)13-15-9-16(24-3)11-17(10-15)25-4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide?
2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 442.38 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 44602044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).