3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide

C16H19NO3S — CID 43507304

IUPAC3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-12(14-7-4-3-5-8-14)17-21(19,20)16-10-6-9-15(11-16)13(2)18/h3-13,17-18H,1-2H3
InChIKeyPRFRDDNXMGBDEC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds5

About 3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide

3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 43507304) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID43507304
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-12(14-7-4-3-5-8-14)17-21(19,20)16-10-6-9-15(11-16)13(2)18/h3-13,17-18H,1-2H3
InChIKeyPRFRDDNXMGBDEC-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide
CID 106346914
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
CID 61466426
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
CID 43507196
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide (CID 43507304) is 3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is PRFRDDNXMGBDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12(14-7-4-3-5-8-14)17-21(19,20)16-10-6-9-15(11-16)13(2)18/h3-13,17-18H,1-2H3.
What are the key properties of 3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide?
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 43507304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).