5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

C16H18BrNO5S — CID 8512676

IUPAC5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Br)ccc2C)cc(OC)c1OC
InChIInChI=1S/C16H18BrNO5S/c1-10-5-6-11(17)7-15(10)24(19,20)18-12-8-13(21-2)16(23-4)14(9-12)22-3/h5-9,18H,1-4H3
InChIKeyRIYYFXCPFSDQHD-UHFFFAOYSA-N
MW416.29 g/mol
LogP3.58
Rot. Bonds6

About 5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (PubChem CID 8512676) has the molecular formula C16H18BrNO5S and a molecular weight of 416.29 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
PubChem CID8512676
Molecular FormulaC16H18BrNO5S
Molecular Weight416.29 g/mol
Exact Mass415.01
IUPAC Name5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Br)ccc2C)cc(OC)c1OC
InChIInChI=1S/C16H18BrNO5S/c1-10-5-6-11(17)7-15(10)24(19,20)18-12-8-13(21-2)16(23-4)14(9-12)22-3/h5-9,18H,1-4H3
InChIKeyRIYYFXCPFSDQHD-UHFFFAOYSA-N
XLogP3.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide
CID 18738997
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 82859179
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
CID 83092973
N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
CID 60792229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (CID 8512676) is 5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(Br)ccc2C)cc(OC)c1OC.
What is the InChIKey of 5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The InChIKey is RIYYFXCPFSDQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO5S/c1-10-5-6-11(17)7-15(10)24(19,20)18-12-8-13(21-2)16(23-4)14(9-12)22-3/h5-9,18H,1-4H3.
What are the key properties of 5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide has a molecular weight of 416.29 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 8512676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).