2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide

C13H19Cl2NO2S — CID 70268375

IUPAC2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide
SMILESCC(C)CC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-9(2)4-5-10(3)16-19(17,18)13-8-11(14)6-7-12(13)15/h6-10,16H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyFDBKHKIZAVWMPF-JTQLQIEISA-N
MW324.27 g/mol
LogP4.10
Rot. Bonds6

About 2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide

2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide (PubChem CID 70268375) has the molecular formula C13H19Cl2NO2S and a molecular weight of 324.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide
PubChem CID70268375
Molecular FormulaC13H19Cl2NO2S
Molecular Weight324.27 g/mol
Exact Mass323.05
IUPAC Name2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide
SMILESCC(C)CC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-9(2)4-5-10(3)16-19(17,18)13-8-11(14)6-7-12(13)15/h6-10,16H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyFDBKHKIZAVWMPF-JTQLQIEISA-N
XLogP4.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 2806415
CID 2806415
CID 886826
CID 886826
CID 2551988
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CID 2953957
CID 2953957
CID 2415602
CID 2415602
CID 16306432
CID 16306432
CID 661154
CID 661154
CID 838585
CID 838585
CID 233099
CID 233099
CID 2930556
CID 2930556
CID 25263452
CID 25263452
CID 710741
CID 710741

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide (CID 70268375) is 2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide is CC(C)CC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide?
The InChIKey is FDBKHKIZAVWMPF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19Cl2NO2S/c1-9(2)4-5-10(3)16-19(17,18)13-8-11(14)6-7-12(13)15/h6-10,16H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide?
2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide has a molecular weight of 324.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide is sourced from PubChem (CID 70268375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).