N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide

C16H19NO4S — CID 12032646

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(O)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NO4S/c1-12-3-9-15(10-4-12)22(19,20)17-11-16(18)13-5-7-14(21-2)8-6-13/h3-10,16-18H,11H2,1-2H3
InChIKeyKRVWHAVMIIJDCJ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.02
Rot. Bonds6

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 12032646) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID12032646
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(O)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NO4S/c1-12-3-9-15(10-4-12)22(19,20)17-11-16(18)13-5-7-14(21-2)8-6-13/h3-10,16-18H,11H2,1-2H3
InChIKeyKRVWHAVMIIJDCJ-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
CID 101386257
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide
CID 7384805
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631098
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 102320005
N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide
CID 41065973
N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide
CID 121254637

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide (CID 12032646) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide is COc1ccc(C(O)CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is KRVWHAVMIIJDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-12-3-9-15(10-4-12)22(19,20)17-11-16(18)13-5-7-14(21-2)8-6-13/h3-10,16-18H,11H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 12032646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).