2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide

C11H16BrNO3S — CID 102697677

IUPAC2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C11H16BrNO3S/c1-8-4-5-11(10(12)6-8)17(14,15)13-7-9(2)16-3/h4-6,9,13H,7H2,1-3H3
InChIKeyNRANYPNHRFMOJD-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.07
Rot. Bonds5

About 2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide

2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide (PubChem CID 102697677) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
PubChem CID102697677
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C11H16BrNO3S/c1-8-4-5-11(10(12)6-8)17(14,15)13-7-9(2)16-3/h4-6,9,13H,7H2,1-3H3
InChIKeyNRANYPNHRFMOJD-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907709
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 115650768
3-bromo-5-(chloromethyl)-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102701357
3-bromo-5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102701305
2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 60732174
2-bromo-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60824533
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120717896
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
2-bromo-N-(2,2-dimethylbutyl)-4-methylbenzenesulfonamide
CID 103463984
methyl 6-[(2-bromo-4-methylphenyl)sulfonylamino]hexanoate
CID 43423584

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide (CID 102697677) is 2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide is COC(C)CNS(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide?
The InChIKey is NRANYPNHRFMOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-8-4-5-11(10(12)6-8)17(14,15)13-7-9(2)16-3/h4-6,9,13H,7H2,1-3H3.
What are the key properties of 2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide?
2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102697677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).