4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide

C12H18BrNO3S — CID 10472170

IUPAC4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)C[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO3S/c1-9(2)7-11(8-15)14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyMMOHMLOYRVYWMN-NSHDSACASA-N
MW336.25 g/mol
LogP2.13
Rot. Bonds6

About 4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide

4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide (PubChem CID 10472170) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
PubChem CID10472170
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)C[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO3S/c1-9(2)7-11(8-15)14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyMMOHMLOYRVYWMN-NSHDSACASA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide
CID 61247517
N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
CID 61246381
4-bromo-N-[(2S,3R)-1-hydroxy-5-methyl-3-propan-2-ylhexan-2-yl]benzenesulfonamide
CID 68542469
2-[4-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]phenyl]acetic acid
CID 61245697
2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246459
4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246458
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61242032
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 18914695
4-bromo-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]benzenesulfonamide
CID 68543624
6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 115753732

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide (CID 10472170) is 4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide is CC(C)C[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is MMOHMLOYRVYWMN-NSHDSACASA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-9(2)7-11(8-15)14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 336.25 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 10472170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).