2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide

C19H24BrNO4S — CID 55386981

IUPAC2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NC(C)c2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C19H24BrNO4S/c1-12(2)14-6-8-15(9-7-14)13(3)21-26(22,23)19-11-18(25-5)17(24-4)10-16(19)20/h6-13,21H,1-5H3
InChIKeyKEIFSTOTCWNOQT-UHFFFAOYSA-N
MW442.38 g/mol
LogP4.63
Rot. Bonds7

About 2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide

2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 55386981) has the molecular formula C19H24BrNO4S and a molecular weight of 442.38 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
PubChem CID55386981
Molecular FormulaC19H24BrNO4S
Molecular Weight442.38 g/mol
Exact Mass441.06
IUPAC Name2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NC(C)c2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C19H24BrNO4S/c1-12(2)14-6-8-15(9-7-14)13(3)21-26(22,23)19-11-18(25-5)17(24-4)10-16(19)20/h6-13,21H,1-5H3
InChIKeyKEIFSTOTCWNOQT-UHFFFAOYSA-N
XLogP4.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-propan-2-ylphenyl)benzenesulfonamide
CID 27658149
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
2-bromo-4,5-dimethoxy-N-[(1S)-1-thiophen-2-ylethyl]benzenesulfonamide
CID 9188372
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 43874188
2-methoxy-5-nitro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55434492
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide
CID 46445215
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133199241
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide (CID 55386981) is 2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide is COc1cc(Br)c(S(=O)(=O)NC(C)c2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is KEIFSTOTCWNOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO4S/c1-12(2)14-6-8-15(9-7-14)13(3)21-26(22,23)19-11-18(25-5)17(24-4)10-16(19)20/h6-13,21H,1-5H3.
What are the key properties of 2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 442.38 g/mol, XLogP of 4.63, 7 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-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 55386981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).