4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

C10H12BrCl2NO3S — CID 97310075

IUPAC4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO3S/c1-2-6(5-15)14-18(16,17)10-4-8(12)7(11)3-9(10)13/h3-4,6,14-15H,2,5H2,1H3/t6-/m1/s1
InChIKeyQHBUXKVOYUHOBO-ZCFIWIBFSA-N
MW377.09 g/mol
LogP2.81
Rot. Bonds5

About 4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 97310075) has the molecular formula C10H12BrCl2NO3S and a molecular weight of 377.09 g/mol. Its IUPAC name is 4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID97310075
Molecular FormulaC10H12BrCl2NO3S
Molecular Weight377.09 g/mol
Exact Mass374.91
IUPAC Name4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO3S/c1-2-6(5-15)14-18(16,17)10-4-8(12)7(11)3-9(10)13/h3-4,6,14-15H,2,5H2,1H3/t6-/m1/s1
InChIKeyQHBUXKVOYUHOBO-ZCFIWIBFSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.09
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
5-amino-2-chloro-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 61112854
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 104981937
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
2-bromo-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43501641
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 93084038
4-chloro-3-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoic acid
CID 107216345
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide
CID 105061056
2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868959
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-nitrobenzenesulfonamide
CID 104982011
5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 42034386
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 97310075) is 4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is QHBUXKVOYUHOBO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12BrCl2NO3S/c1-2-6(5-15)14-18(16,17)10-4-8(12)7(11)3-9(10)13/h3-4,6,14-15H,2,5H2,1H3/t6-/m1/s1.
What are the key properties of 4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 377.09 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 97310075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).