4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride

C14H21ClO3S — CID 124528695

IUPAC4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride
SMILESCCCC[C@H](OCCC)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H21ClO3S/c1-3-5-6-14(18-11-4-2)12-7-9-13(10-8-12)19(15,16)17/h7-10,14H,3-6,11H2,1-2H3/t14-/m0/s1
InChIKeyPPSXOZXLRNNNQZ-AWEZNQCLSA-N
MW304.84 g/mol
LogP4.27
Rot. Bonds8

About 4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride

4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride (PubChem CID 124528695) has the molecular formula C14H21ClO3S and a molecular weight of 304.84 g/mol. Its IUPAC name is 4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride
PubChem CID124528695
Molecular FormulaC14H21ClO3S
Molecular Weight304.84 g/mol
Exact Mass304.09
IUPAC Name4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride
SMILESCCCC[C@H](OCCC)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H21ClO3S/c1-3-5-6-14(18-11-4-2)12-7-9-13(10-8-12)19(15,16)17/h7-10,14H,3-6,11H2,1-2H3/t14-/m0/s1
InChIKeyPPSXOZXLRNNNQZ-AWEZNQCLSA-N
XLogP4.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-methoxypentyl]benzenesulfonyl chloride
CID 124528663
4-[(1R)-1-methoxypentyl]benzenesulfonyl chloride
CID 124528664
4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride
CID 124528692
4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride
CID 124528662
4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride
CID 124528657
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048
4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
CID 124528667
4-(1-methoxy-3-methylbutyl)benzenesulfonyl chloride
CID 102543678
4-[(1R)-1-methoxy-3-methylbutyl]benzenesulfonyl chloride
CID 124528666
1-(1-butoxybutyl)-4-chlorobenzene
CID 56977636
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride (CID 124528695) is 4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride is CCCC[C@H](OCCC)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride?
The InChIKey is PPSXOZXLRNNNQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21ClO3S/c1-3-5-6-14(18-11-4-2)12-7-9-13(10-8-12)19(15,16)17/h7-10,14H,3-6,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride?
4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride has a molecular weight of 304.84 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride is sourced from PubChem (CID 124528695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).