benzenesulfonyl(phenyl)methanol

C13H12O3S — CID 174895803

IUPACbenzenesulfonyl(phenyl)methanol
SMILESO=S(=O)(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C13H12O3S/c14-13(11-7-3-1-4-8-11)17(15,16)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyYLUZLXBRPWISDC-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.15
Rot. Bonds3

About benzenesulfonyl(phenyl)methanol

benzenesulfonyl(phenyl)methanol (PubChem CID 174895803) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is benzenesulfonyl(phenyl)methanol.

Molecular Properties

Compound Namebenzenesulfonyl(phenyl)methanol
PubChem CID174895803
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Namebenzenesulfonyl(phenyl)methanol
SMILESO=S(=O)(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C13H12O3S/c14-13(11-7-3-1-4-8-11)17(15,16)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyYLUZLXBRPWISDC-UHFFFAOYSA-N
XLogP2.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
1-(benzenesulfonyl)-1-chloropropan-2-ol
CID 70438780
(2S)-3,3-bis(benzenesulfonyl)-2-phenylpropan-1-ol
CID 101238373
2-amino-1-(benzenesulfonyl)ethanol
CID 117037374
(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
(1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol
CID 101087934
4-(benzenesulfonyl)pentan-2-ol
CID 12920591
2-(benzenesulfonyl)pentan-3-ol
CID 62918399
2,7-bis(benzenesulfonyl)octane-4,5-diol
CID 86168417
bis(benzenesulfonyl)methanesulfinic acid
CID 142336859
2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid
CID 69392310
4-[1-(benzenesulfonyl)ethyl]phenol
CID 44605384

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl(phenyl)methanol?
The IUPAC name of benzenesulfonyl(phenyl)methanol (CID 174895803) is benzenesulfonyl(phenyl)methanol.
What is the SMILES notation for benzenesulfonyl(phenyl)methanol?
The canonical SMILES for benzenesulfonyl(phenyl)methanol is O=S(=O)(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of benzenesulfonyl(phenyl)methanol?
The InChIKey is YLUZLXBRPWISDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c14-13(11-7-3-1-4-8-11)17(15,16)12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of benzenesulfonyl(phenyl)methanol?
benzenesulfonyl(phenyl)methanol has a molecular weight of 248.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl(phenyl)methanol is sourced from PubChem (CID 174895803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).