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

C10H13ClO3S — CID 124528667

IUPAC4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
SMILESCCO[C@@H](C)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO3S/c1-3-14-8(2)9-4-6-10(7-5-9)15(11,12)13/h4-8H,3H2,1-2H3/t8-/m0/s1
InChIKeySMMNIOQCAVJZBB-QMMMGPOBSA-N
MW248.73 g/mol
LogP2.71
Rot. Bonds4

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

4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride (PubChem CID 124528667) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
PubChem CID124528667
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
SMILESCCO[C@@H](C)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO3S/c1-3-14-8(2)9-4-6-10(7-5-9)15(11,12)13/h4-8H,3H2,1-2H3/t8-/m0/s1
InChIKeySMMNIOQCAVJZBB-QMMMGPOBSA-N
XLogP2.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride (CID 124528667) is 4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride is CCO[C@@H](C)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride?
The InChIKey is SMMNIOQCAVJZBB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-3-14-8(2)9-4-6-10(7-5-9)15(11,12)13/h4-8H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride?
4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride is sourced from PubChem (CID 124528667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).