N-(2-hydroxy-2-phenylethyl)benzenesulfonamide

C14H15NO3S — CID 2812773

IUPACN-(2-hydroxy-2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO3S/c16-14(12-7-3-1-4-8-12)11-15-19(17,18)13-9-5-2-6-10-13/h1-10,14-16H,11H2
InChIKeyLMJZCTODAKKBBT-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.70
Rot. Bonds5

About N-(2-hydroxy-2-phenylethyl)benzenesulfonamide

N-(2-hydroxy-2-phenylethyl)benzenesulfonamide (PubChem CID 2812773) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)benzenesulfonamide
PubChem CID2812773
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-(2-hydroxy-2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO3S/c16-14(12-7-3-1-4-8-12)11-15-19(17,18)13-9-5-2-6-10-13/h1-10,14-16H,11H2
InChIKeyLMJZCTODAKKBBT-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)benzenesulfonamide (CID 2812773) is N-(2-hydroxy-2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)benzenesulfonamide?
The InChIKey is LMJZCTODAKKBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-14(12-7-3-1-4-8-12)11-15-19(17,18)13-9-5-2-6-10-13/h1-10,14-16H,11H2.
What are the key properties of N-(2-hydroxy-2-phenylethyl)benzenesulfonamide?
N-(2-hydroxy-2-phenylethyl)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 2812773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).