5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide

C10H14BrNO3S — CID 83029794

IUPAC5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)O
InChIInChI=1S/C10H14BrNO3S/c1-7-3-4-9(11)5-10(7)16(14,15)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3/t8-/m0/s1
InChIKeyFKEKKDLRANCWLS-QMMMGPOBSA-N
MW308.20 g/mol
LogP1.42
Rot. Bonds4

About 5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide

5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide (PubChem CID 83029794) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
PubChem CID83029794
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)O
InChIInChI=1S/C10H14BrNO3S/c1-7-3-4-9(11)5-10(7)16(14,15)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3/t8-/m0/s1
InChIKeyFKEKKDLRANCWLS-QMMMGPOBSA-N
XLogP1.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143
5-bromo-N-[(2S)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 51860913
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
3-[[(5-bromo-2-methylphenyl)sulfonylamino]methyl]pentanoic acid
CID 81066818

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide (CID 83029794) is 5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)O.
What is the InChIKey of 5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide?
The InChIKey is FKEKKDLRANCWLS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-7-3-4-9(11)5-10(7)16(14,15)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3/t8-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide?
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 83029794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).