3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide

C15H18N2O3S — CID 61239053

IUPAC3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1N
InChIInChI=1S/C15H18N2O3S/c1-11-2-7-14(10-15(11)16)21(19,20)17-9-8-12-3-5-13(18)6-4-12/h2-7,10,17-18H,8-9,16H2,1H3
InChIKeyLXPYHLGVZPEBIY-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.80
Rot. Bonds5

About 3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide

3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 61239053) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID61239053
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1N
InChIInChI=1S/C15H18N2O3S/c1-11-2-7-14(10-15(11)16)21(19,20)17-9-8-12-3-5-13(18)6-4-12/h2-7,10,17-18H,8-9,16H2,1H3
InChIKeyLXPYHLGVZPEBIY-UHFFFAOYSA-N
XLogP1.80
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 82845702
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
3-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylbenzenesulfonamide
CID 65103032
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615116
4-N-[2-(4-aminophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875967
3-amino-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332490
3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324605
4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol
CID 61238883
6-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
CID 61237307
3-amino-4-methyl-N-pent-4-ynylbenzenesulfonamide
CID 114159874

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide (CID 61239053) is 3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1N.
What is the InChIKey of 3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is LXPYHLGVZPEBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-2-7-14(10-15(11)16)21(19,20)17-9-8-12-3-5-13(18)6-4-12/h2-7,10,17-18H,8-9,16H2,1H3.
What are the key properties of 3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide?
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 61239053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).