2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

C10H13Br2NO3S — CID 51697632

IUPAC2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H13Br2NO3S/c1-2-8(6-14)13-17(15,16)10-5-7(11)3-4-9(10)12/h3-5,8,13-14H,2,6H2,1H3/t8-/m0/s1
InChIKeyCZGAGZRJLFEJBK-QMMMGPOBSA-N
MW387.09 g/mol
LogP2.26
Rot. Bonds5

About 2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 51697632) has the molecular formula C10H13Br2NO3S and a molecular weight of 387.09 g/mol. Its IUPAC name is 2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID51697632
Molecular FormulaC10H13Br2NO3S
Molecular Weight387.09 g/mol
Exact Mass384.90
IUPAC Name2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H13Br2NO3S/c1-2-8(6-14)13-17(15,16)10-5-7(11)3-4-9(10)12/h3-5,8,13-14H,2,6H2,1H3/t8-/m0/s1
InChIKeyCZGAGZRJLFEJBK-QMMMGPOBSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.09
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246459
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 104981937
2-bromo-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43501641
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 93084038
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 97310075
(2S)-2-[(2,5-dibromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173478
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833752
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 51697632) is 2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is CZGAGZRJLFEJBK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13Br2NO3S/c1-2-8(6-14)13-17(15,16)10-5-7(11)3-4-9(10)12/h3-5,8,13-14H,2,6H2,1H3/t8-/m0/s1.
What are the key properties of 2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 387.09 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 51697632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).