3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide

C12H16BrNO3S — CID 103723853

IUPAC3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(C)CC2)cc1Br
InChIInChI=1S/C12H16BrNO3S/c1-12(5-6-12)8-14-18(15,16)9-3-4-11(17-2)10(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyQLVMJZKDWWDKTM-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.54
Rot. Bonds5

About 3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide

3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 103723853) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID103723853
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(C)CC2)cc1Br
InChIInChI=1S/C12H16BrNO3S/c1-12(5-6-12)8-14-18(15,16)9-3-4-11(17-2)10(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyQLVMJZKDWWDKTM-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107270998
3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methoxybenzenesulfonamide
CID 105420140
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide
CID 115902962
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 31391788
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966879
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide (CID 103723853) is 3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(C)CC2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is QLVMJZKDWWDKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-12(5-6-12)8-14-18(15,16)9-3-4-11(17-2)10(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide?
3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103723853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).