(2S)-2-phenylpropane-1-sulfonyl chloride

C9H11ClO2S — CID 98112212

IUPAC(2S)-2-phenylpropane-1-sulfonyl chloride
SMILESC[C@H](CS(=O)(=O)Cl)c1ccccc1
InChIInChI=1S/C9H11ClO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1
InChIKeyURGJZUKWCQVXCR-MRVPVSSYSA-N
MW218.71 g/mol
LogP2.36
Rot. Bonds3

About (2S)-2-phenylpropane-1-sulfonyl chloride

(2S)-2-phenylpropane-1-sulfonyl chloride (PubChem CID 98112212) has the molecular formula C9H11ClO2S and a molecular weight of 218.71 g/mol. Its IUPAC name is (2S)-2-phenylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name(2S)-2-phenylpropane-1-sulfonyl chloride
PubChem CID98112212
Molecular FormulaC9H11ClO2S
Molecular Weight218.71 g/mol
Exact Mass218.02
IUPAC Name(2S)-2-phenylpropane-1-sulfonyl chloride
SMILESC[C@H](CS(=O)(=O)Cl)c1ccccc1
InChIInChI=1S/C9H11ClO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1
InChIKeyURGJZUKWCQVXCR-MRVPVSSYSA-N
XLogP2.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylpropane-1-sulfonic acid
CID 18989058
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
2-hydroxy-2-phenylethanesulfonyl chloride
CID 115032395
2-(4-butylphenyl)propane-1-sulfonyl chloride
CID 112519919
2-(2-phenylpropylsulfonyl)acetic acid
CID 141376765
2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine
CID 68807261
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
2-thiophen-2-ylpropane-1-sulfonyl chloride
CID 83642993
3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride
CID 65015506
2-[carboxymethyl(2-phenylpropylsulfonyl)amino]acetic acid
CID 80690137
N-ethoxy-2-phenylpropane-1-sulfonamide
CID 80686317
cumene;sulfurochloridic acid
CID 23037521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylpropane-1-sulfonyl chloride?
The IUPAC name of (2S)-2-phenylpropane-1-sulfonyl chloride (CID 98112212) is (2S)-2-phenylpropane-1-sulfonyl chloride.
What is the SMILES notation for (2S)-2-phenylpropane-1-sulfonyl chloride?
The canonical SMILES for (2S)-2-phenylpropane-1-sulfonyl chloride is C[C@H](CS(=O)(=O)Cl)c1ccccc1.
What is the InChIKey of (2S)-2-phenylpropane-1-sulfonyl chloride?
The InChIKey is URGJZUKWCQVXCR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1.
What are the key properties of (2S)-2-phenylpropane-1-sulfonyl chloride?
(2S)-2-phenylpropane-1-sulfonyl chloride has a molecular weight of 218.71 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylpropane-1-sulfonyl chloride is sourced from PubChem (CID 98112212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).