2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide

C15H24BrNO3S — CID 106022484

IUPAC2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cc(CO)ccc1Br
InChIInChI=1S/C15H24BrNO3S/c1-3-5-7-13(6-4-2)17-21(19,20)15-10-12(11-18)8-9-14(15)16/h8-10,13,17-18H,3-7,11H2,1-2H3
InChIKeyLPEMDTFFTORTHM-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.58
Rot. Bonds9

About 2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide

2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide (PubChem CID 106022484) has the molecular formula C15H24BrNO3S and a molecular weight of 378.33 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
PubChem CID106022484
Molecular FormulaC15H24BrNO3S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cc(CO)ccc1Br
InChIInChI=1S/C15H24BrNO3S/c1-3-5-7-13(6-4-2)17-21(19,20)15-10-12(11-18)8-9-14(15)16/h8-10,13,17-18H,3-7,11H2,1-2H3
InChIKeyLPEMDTFFTORTHM-UHFFFAOYSA-N
XLogP3.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 106046490
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
3-bromo-N-heptan-2-yl-5-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 81480451
4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022413
5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide
CID 106027676
5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide
CID 106022501
N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide
CID 106025725
5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
CID 106022477
5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide
CID 106022168

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide (CID 106022484) is 2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide is CCCCC(CCC)NS(=O)(=O)c1cc(CO)ccc1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide?
The InChIKey is LPEMDTFFTORTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3S/c1-3-5-7-13(6-4-2)17-21(19,20)15-10-12(11-18)8-9-14(15)16/h8-10,13,17-18H,3-7,11H2,1-2H3.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide?
2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide has a molecular weight of 378.33 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide is sourced from PubChem (CID 106022484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).