5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride

C12H20BrClN2O2S — CID 120665143

IUPAC5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1C.Cl
InChIInChI=1S/C12H19BrN2O2S.ClH/c1-4-14-10(3)8-15-18(16,17)12-7-11(13)6-5-9(12)2;/h5-7,10,14-15H,4,8H2,1-3H3;1H/t10-;/m1./s1
InChIKeySVIDZDOKBTVRPK-HNCPQSOCSA-N
MW371.73 g/mol
LogP2.46
Rot. Bonds6

About 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride

5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 120665143) has the molecular formula C12H20BrClN2O2S and a molecular weight of 371.73 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
PubChem CID120665143
Molecular FormulaC12H20BrClN2O2S
Molecular Weight371.73 g/mol
Exact Mass370.01
IUPAC Name5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1C.Cl
InChIInChI=1S/C12H19BrN2O2S.ClH/c1-4-14-10(3)8-15-18(16,17)12-7-11(13)6-5-9(12)2;/h5-7,10,14-15H,4,8H2,1-3H3;1H/t10-;/m1./s1
InChIKeySVIDZDOKBTVRPK-HNCPQSOCSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
3-[[(5-bromo-2-methylphenyl)sulfonylamino]methyl]pentanoic acid
CID 81066818
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride (CID 120665143) is 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1C.Cl.
What is the InChIKey of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is SVIDZDOKBTVRPK-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H19BrN2O2S.ClH/c1-4-14-10(3)8-15-18(16,17)12-7-11(13)6-5-9(12)2;/h5-7,10,14-15H,4,8H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride?
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 371.73 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120665143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).