N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide

C11H16BrNO3S — CID 135348293

IUPACN-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)CC(C)C)c1
InChIInChI=1S/C11H16BrNO3S/c1-8(2)7-17(14,15)13-10-4-9(12)5-11(6-10)16-3/h4-6,8,13H,7H2,1-3H3
InChIKeySHNNDGCCPOCCSS-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.86
Rot. Bonds5

About N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide

N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide (PubChem CID 135348293) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
PubChem CID135348293
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC NameN-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)CC(C)C)c1
InChIInChI=1S/C11H16BrNO3S/c1-8(2)7-17(14,15)13-10-4-9(12)5-11(6-10)16-3/h4-6,8,13H,7H2,1-3H3
InChIKeySHNNDGCCPOCCSS-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methoxyphenyl)-1-cyanomethanesulfonamide
CID 82867498
N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
CID 135348470
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82859753
2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82860132
4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide
CID 82859346
3-(3-bromo-5-methoxyanilino)butanoic acid
CID 82868127
N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
CID 113256472
3-bromo-5-methoxy-N-nonan-2-ylaniline
CID 82857292
3-bromo-5-methoxy-N-octan-2-ylaniline
CID 82857926
N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076709
3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 82858303

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide (CID 135348293) is N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide is COc1cc(Br)cc(NS(=O)(=O)CC(C)C)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is SHNNDGCCPOCCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-8(2)7-17(14,15)13-10-4-9(12)5-11(6-10)16-3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide?
N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 135348293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).