2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide

C17H20BrNO4S — CID 27658149

IUPAC2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C17H20BrNO4S/c1-11(2)12-5-7-13(8-6-12)19-24(20,21)17-10-16(23-4)15(22-3)9-14(17)18/h5-11,19H,1-4H3
InChIKeyHPOQEMVOHRLQPP-UHFFFAOYSA-N
MW414.32 g/mol
LogP4.39
Rot. Bonds6

About 2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide

2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 27658149) has the molecular formula C17H20BrNO4S and a molecular weight of 414.32 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID27658149
Molecular FormulaC17H20BrNO4S
Molecular Weight414.32 g/mol
Exact Mass413.03
IUPAC Name2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C17H20BrNO4S/c1-11(2)12-5-7-13(8-6-12)19-24(20,21)17-10-16(23-4)15(22-3)9-14(17)18/h5-11,19H,1-4H3
InChIKeyHPOQEMVOHRLQPP-UHFFFAOYSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55386981
2-bromo-N-[4-(dimethylamino)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 78809657
2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 110300252
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 27658187
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 112773648
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
N-(2H-benzotriazol-5-yl)-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 71861623
2-bromo-N-(2,6-dimethylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658198
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
2-bromo-4,5-dimethoxy-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 43069569
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide (CID 27658149) is 2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide is COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is HPOQEMVOHRLQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO4S/c1-11(2)12-5-7-13(8-6-12)19-24(20,21)17-10-16(23-4)15(22-3)9-14(17)18/h5-11,19H,1-4H3.
What are the key properties of 2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide?
2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 414.32 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 27658149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).