4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride

C13H19ClO3S — CID 124528692

IUPAC4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride
SMILESCCCO[C@H](c1ccc(S(=O)(=O)Cl)cc1)C(C)C
InChIInChI=1S/C13H19ClO3S/c1-4-9-17-13(10(2)3)11-5-7-12(8-6-11)18(14,15)16/h5-8,10,13H,4,9H2,1-3H3/t13-/m0/s1
InChIKeyMWBHYECOPKTCKJ-ZDUSSCGKSA-N
MW290.81 g/mol
LogP3.74
Rot. Bonds6

About 4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride

4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride (PubChem CID 124528692) has the molecular formula C13H19ClO3S and a molecular weight of 290.81 g/mol. Its IUPAC name is 4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride
PubChem CID124528692
Molecular FormulaC13H19ClO3S
Molecular Weight290.81 g/mol
Exact Mass290.07
IUPAC Name4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride
SMILESCCCO[C@H](c1ccc(S(=O)(=O)Cl)cc1)C(C)C
InChIInChI=1S/C13H19ClO3S/c1-4-9-17-13(10(2)3)11-5-7-12(8-6-11)18(14,15)16/h5-8,10,13H,4,9H2,1-3H3/t13-/m0/s1
InChIKeyMWBHYECOPKTCKJ-ZDUSSCGKSA-N
XLogP3.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.81
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride
CID 124528695
4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
CID 124528667
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048
4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride
CID 124528662
4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride
CID 124528657
4-[(1R)-1-methoxypentyl]benzenesulfonyl chloride
CID 124528664
4-[(1S)-1-methoxypentyl]benzenesulfonyl chloride
CID 124528663
4-(1-methoxy-3-methylbutyl)benzenesulfonyl chloride
CID 102543678
4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 87522161
4-[(1R)-1-methoxy-3-methylbutyl]benzenesulfonyl chloride
CID 124528666
4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride
CID 98235111

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride (CID 124528692) is 4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride is CCCO[C@H](c1ccc(S(=O)(=O)Cl)cc1)C(C)C.
What is the InChIKey of 4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride?
The InChIKey is MWBHYECOPKTCKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19ClO3S/c1-4-9-17-13(10(2)3)11-5-7-12(8-6-11)18(14,15)16/h5-8,10,13H,4,9H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride?
4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride has a molecular weight of 290.81 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride is sourced from PubChem (CID 124528692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).