N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide

C16H18ClNO3S — CID 110663517

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO3S/c1-2-12-3-9-15(10-4-12)22(20,21)18-11-16(19)13-5-7-14(17)8-6-13/h3-10,16,18-19H,2,11H2,1H3
InChIKeyWLGQBRDUNHPGLC-UHFFFAOYSA-N
MW339.84 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide (PubChem CID 110663517) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
PubChem CID110663517
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO3S/c1-2-12-3-9-15(10-4-12)22(20,21)18-11-16(19)13-5-7-14(17)8-6-13/h3-10,16,18-19H,2,11H2,1H3
InChIKeyWLGQBRDUNHPGLC-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
CID 14536999
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663554
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 24640206
N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide
CID 64540425
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide
CID 110291567
N-[(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]butyl]-4-methylbenzenesulfonamide
CID 177474536
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110279875

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide (CID 110663517) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide?
The InChIKey is WLGQBRDUNHPGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-2-12-3-9-15(10-4-12)22(20,21)18-11-16(19)13-5-7-14(17)8-6-13/h3-10,16,18-19H,2,11H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 110663517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).