4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide

C16H19NO3S — CID 6930626

IUPAC4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-2-13-8-10-15(11-9-13)21(19,20)17-12-16(18)14-6-4-3-5-7-14/h3-11,16-18H,2,12H2,1H3/t16-/m1/s1
InChIKeyYVSOONDLWBKWHN-MRXNPFEDSA-N
MW305.40 g/mol
LogP2.26
Rot. Bonds6

About 4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide

4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide (PubChem CID 6930626) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
PubChem CID6930626
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-2-13-8-10-15(11-9-13)21(19,20)17-12-16(18)14-6-4-3-5-7-14/h3-11,16-18H,2,12H2,1H3/t16-/m1/s1
InChIKeyYVSOONDLWBKWHN-MRXNPFEDSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide
CID 64540425
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide
CID 169370345
2-[[4-(benzenesulfonyl)phenyl]methylamino]-1-phenylethanol
CID 76673609
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 56541912
3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
CID 14536999
2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol
CID 62917385

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide (CID 6930626) is 4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NC[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of 4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide?
The InChIKey is YVSOONDLWBKWHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-13-8-10-15(11-9-13)21(19,20)17-12-16(18)14-6-4-3-5-7-14/h3-11,16-18H,2,12H2,1H3/t16-/m1/s1.
What are the key properties of 4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide?
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 6930626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).