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

C17H20ClNO3S — CID 110291567

IUPACN-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(C)(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO3S/c1-3-13-4-10-16(11-5-13)23(21,22)19-12-17(2,20)14-6-8-15(18)9-7-14/h4-11,19-20H,3,12H2,1-2H3
InChIKeySVLXOLOSXMSOTO-UHFFFAOYSA-N
MW353.87 g/mol
LogP3.09
Rot. Bonds6

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

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide (PubChem CID 110291567) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide
PubChem CID110291567
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(C)(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO3S/c1-3-13-4-10-16(11-5-13)23(21,22)19-12-17(2,20)14-6-8-15(18)9-7-14/h4-11,19-20H,3,12H2,1-2H3
InChIKeySVLXOLOSXMSOTO-UHFFFAOYSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethylbenzenesulfonamide
CID 110291564
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
4-chloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501119
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110291596
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844707
4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 110291434
4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 69020554
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
N-[2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropyl]-3,4-difluorobenzenesulfonamide
CID 166232776
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide (CID 110291567) is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(C)(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide?
The InChIKey is SVLXOLOSXMSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-3-13-4-10-16(11-5-13)23(21,22)19-12-17(2,20)14-6-8-15(18)9-7-14/h4-11,19-20H,3,12H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide?
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.09, 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-hydroxypropyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 110291567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).